NP-MRD: Showing NP-Card for 2-methyl-10-[(2-phenylethenyl)amino]-2,7-diazatricyclo[6.3.1.0⁴,¹²]dodeca-1(12),3,7,9-tetraen-11-one (NP0241228)

Jump To Section:

Identification Spectra BioTaxonomy ChemoTaxonomy Physical properties Links References XML

Record Information

Version

2.0

Created at

2022-09-07 01:15:14 UTC

Updated at

2022-09-07 01:15:14 UTC

NP-MRD ID

NP0241228

Secondary Accession Numbers

None

Natural Product Identification

Common Name

2-methyl-10-[(2-phenylethenyl)amino]-2,7-diazatricyclo[6.3.1.0⁴,¹²]dodeca-1(12),3,7,9-tetraen-11-one

Description

2-Methyl-10-[(2-phenylethenyl)amino]-2,7-diazatricyclo[6.3.1.0⁴,¹²]Dodeca-1(12),3,7,9-tetraen-11-one belongs to the class of organic compounds known as pyrrolo[4,3,2-de]quinolines. These are organic heterocyclic compounds with a structure based on the Pyrrolo[4,3,2-de]quinoline skeleton. 2-methyl-10-[(2-phenylethenyl)amino]-2,7-diazatricyclo[6.3.1.0⁴,¹²]dodeca-1(12),3,7,9-tetraen-11-one is found in Zyzzya fuliginosa. Based on a literature review very few articles have been published on 2-methyl-10-[(2-phenylethenyl)amino]-2,7-diazatricyclo[6.3.1.0⁴,¹²]Dodeca-1(12),3,7,9-tetraen-11-one.

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 40 43  0  0  0  0  0  0  0  0999 V2000
   -4.3889   -1.3271    2.3781 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8377   -0.6436    1.2442 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5383    0.0896    0.3398 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6457    0.6044   -0.6297 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4207    0.1443   -0.2515 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5278   -0.6145    0.8852 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2694   -1.1655    1.3867 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3369   -1.8639    2.4246 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0211   -0.8911    0.6831 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2045   -1.4485    1.2017 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1010   -2.1711    0.3953 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1971   -1.8119   -0.1580 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8368   -0.5142   -0.1020 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0449   -0.3177   -0.7812 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7181    0.8759   -0.7821 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2291    1.9570   -0.1030 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0495    1.8073    0.5748 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3679    0.5853    0.5710 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0308   -0.1375   -0.4310 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1989    0.4381   -0.9753 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2821    1.1733   -2.0301 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5092    1.7204   -2.5323 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7744    1.4327   -1.8190 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5821   -2.4009    2.1823 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6812   -1.3117    3.2518 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3212   -0.8536    2.7595 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5934    0.2738    0.3249 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4450   -1.3229    2.2294 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7909   -3.2342    0.2169 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7271   -2.5843   -0.7550 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4813   -1.1188   -1.3301 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6582    1.0031   -1.3195 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7334    2.9155   -0.0813 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6179    2.6267    1.1272 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4353    0.4976    1.1176 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9501    0.0599   -0.9418 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3643    2.8557   -2.4751 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5776    1.4671   -3.6335 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4220    0.8157   -2.5397 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3261    2.3897   -1.6229 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4 23  1  0
 23 22  1  0
 22 21  1  0
 21 20  2  0
 20 19  1  0
 19  9  2  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
  9  7  1  0
  7  8  2  0
  7  6  1  0
  6  5  2  0
  6  2  1  0
  5  4  1  0
  5 20  1  0
 18 13  1  0
  1 24  1  0
  1 25  1  0
  1 26  1  0
  3 27  1  0
 23 39  1  0
 23 40  1  0
 22 37  1  0
 22 38  1  0
 19 36  1  0
 10 28  1  0
 11 29  1  0
 12 30  1  0
 14 31  1  0
 15 32  1  0
 16 33  1  0
 17 34  1  0
 18 35  1  0
M  END


  Mrv1652309072203152D          

 23 26  0  0  0  0            999 V2000
    1.8226   -0.6406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3377    0.0269    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5127    0.0269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2578    0.8115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9252    1.2964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5926    0.8115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3463    1.1470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0138    0.6621    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4326    1.9675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1862    2.3031    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2725    3.1236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6050    3.6085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6913    4.4290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0238    4.9139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1101    5.7344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8637    6.0699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5312    5.5850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4449    4.7645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7651    2.4525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8390    2.1169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0853    2.4525    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5821    1.9675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4959    1.1470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  2  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 11 10  1  4  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 13 18  1  0  0  0  0
  9 19  2  0  0  0  0
 19 20  1  0  0  0  0
  5 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
  4 23  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0241228

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CN1C=C2CCN=C3C=C(NC=CC4=CC=CC=C4)C(=O)C1=C23

> <INCHI_IDENTIFIER>
InChI=1S/C19H17N3O/c1-22-12-14-8-10-20-15-11-16(19(23)18(22)17(14)15)21-9-7-13-5-3-2-4-6-13/h2-7,9,11-12,21H,8,10H2,1H3

> <INCHI_KEY>
XQWFHMNJBSTIAV-UHFFFAOYSA-N

> <FORMULA>
C19H17N3O

> <MOLECULAR_WEIGHT>
303.365

> <EXACT_MASS>
303.137162179

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
40

> <JCHEM_AVERAGE_POLARIZABILITY>
34.239910880987225

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
2-methyl-10-[(2-phenylethenyl)amino]-2,7-diazatricyclo[6.3.1.0^{4,12}]dodeca-1(12),3,7,9-tetraen-11-one

> <JCHEM_LOGP>
2.378660506666666

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_ACIDIC>
19.964693229254053

> <JCHEM_PKA_STRONGEST_BASIC>
8.618882880402042

> <JCHEM_POLAR_SURFACE_AREA>
46.39

> <JCHEM_REFRACTIVITY>
93.8398

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
2-methyl-10-[(2-phenylethenyl)amino]-2,7-diazatricyclo[6.3.1.0^{4,12}]dodeca-1(12),3,7,9-tetraen-11-one

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 07-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   07-SEP-22         0                                  
HETATM    1  C   UNK     0       3.402  -1.196   0.000  0.00  0.00           C+0
HETATM    2  N   UNK     0       2.497   0.050   0.000  0.00  0.00           N+0
HETATM    3  C   UNK     0       0.957   0.050   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       0.481   1.515   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       1.727   2.420   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       2.973   1.515   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       4.380   2.141   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0       5.626   1.236   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0       4.541   3.673   0.000  0.00  0.00           C+0
HETATM   10  N   UNK     0       5.948   4.299   0.000  0.00  0.00           N+0
HETATM   11  C   UNK     0       6.109   5.831   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       4.863   6.736   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       5.024   8.267   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       3.778   9.173   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       3.939  10.704   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       5.346  11.331   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       6.592  10.425   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       6.431   8.894   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       3.295   4.578   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       1.566   3.952   0.000  0.00  0.00           C+0
HETATM   21  N   UNK     0       0.159   4.578   0.000  0.00  0.00           N+0
HETATM   22  C   UNK     0      -1.087   3.673   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      -0.926   2.141   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3    6                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5   23                                                  
CONECT    5    4    6   20                                                  
CONECT    6    5    2    7                                                  
CONECT    7    6    8    9                                                  
CONECT    8    7                                                            
CONECT    9    7   10   19                                                  
CONECT   10    9   11                                                       
CONECT   11   10   12                                                       
CONECT   12   11   13                                                       
CONECT   13   12   14   18                                                  
CONECT   14   13   15                                                       
CONECT   15   14   16                                                       
CONECT   16   15   17                                                       
CONECT   17   16   18                                                       
CONECT   18   17   13                                                       
CONECT   19    9   20                                                       
CONECT   20   19    5   21                                                  
CONECT   21   20   22                                                       
CONECT   22   21   23                                                       
CONECT   23   22    4                                                       
MASTER        0    0    0    0    0    0    0    0   23    0   52    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₁₉H₁₇N₃O

Average Mass

303.3650 Da

Monoisotopic Mass

303.13716 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

CN1C=C2CCN=C3C=C(NC=CC4=CC=CC=C4)C(=O)C1=C23

InChI Identifier

InChI=1S/C19H17N3O/c1-22-12-14-8-10-20-15-11-16(19(23)18(22)17(14)15)21-9-7-13-5-3-2-4-6-13/h2-7,9,11-12,21H,8,10H2,1H3

InChI Key

XQWFHMNJBSTIAV-UHFFFAOYSA-N

Experimental Spectra

Not Available

Predicted Spectra

Spectrum Type	Description	Depositor ID	Depositor Organization	Depositor	Deposition Date	View
1D NMR	¹³C NMR Spectrum (1D, 25 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 252 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 50 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 75 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 101 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 126 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 151 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 176 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 201 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 226 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Zyzzya fuliginosa	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as pyrrolo[4,3,2-de]quinolines. These are organic heterocyclic compounds with a structure based on the Pyrrolo[4,3,2-de]quinoline skeleton.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Quinolines and derivatives

Sub Class

Pyrroloquinolines

Direct Parent

Pyrrolo[4,3,2-de]quinolines

Alternative Parents

Substituents

Pyrrolo[4,3,2-de]quinoline
Indole or derivatives
Aryl ketone
Styrene
Monocyclic benzene moiety
N-methylpyrrole
Benzenoid
Substituted pyrrole
Heteroaromatic compound
Pyrrole
Ketimine
Ketone
Secondary aliphatic amine
Enamine
Azacycle
Organic 1,3-dipolar compound
Secondary amine
Propargyl-type 1,3-dipolar organic compound
Hydrocarbon derivative
Organic oxide
Organopnictogen compound
Organic oxygen compound
Organonitrogen compound
Organooxygen compound
Organic nitrogen compound
Amine
Imine
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

Not Available

Physical Properties

State

Not Available

Experimental Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Predicted Properties

Property	Value	Source

External Links

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

163024978

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 2-methyl-10-[(2-phenylethenyl)amino]-2,7-diazatricyclo[6.3.1.0⁴,¹²]dodeca-1(12),3,7,9-tetraen-11-one (NP0241228)

MOL for NP0241228 (2-methyl-10-[(2-phenylethenyl)amino]-2,7-diazatricyclo[6.3.1.0⁴,¹²]dodeca-1(12),3,7,9-tetraen-11-one)

3D MOL for NP0241228 (2-methyl-10-[(2-phenylethenyl)amino]-2,7-diazatricyclo[6.3.1.0⁴,¹²]dodeca-1(12),3,7,9-tetraen-11-one)

3D SDF for NP0241228 (2-methyl-10-[(2-phenylethenyl)amino]-2,7-diazatricyclo[6.3.1.0⁴,¹²]dodeca-1(12),3,7,9-tetraen-11-one)

3D-SDF for NP0241228 (2-methyl-10-[(2-phenylethenyl)amino]-2,7-diazatricyclo[6.3.1.0⁴,¹²]dodeca-1(12),3,7,9-tetraen-11-one)

PDB for NP0241228 (2-methyl-10-[(2-phenylethenyl)amino]-2,7-diazatricyclo[6.3.1.0⁴,¹²]dodeca-1(12),3,7,9-tetraen-11-one)

3D PDB for NP0241228 (2-methyl-10-[(2-phenylethenyl)amino]-2,7-diazatricyclo[6.3.1.0⁴,¹²]dodeca-1(12),3,7,9-tetraen-11-one)

SMILES for NP0241228 (2-methyl-10-[(2-phenylethenyl)amino]-2,7-diazatricyclo[6.3.1.0⁴,¹²]dodeca-1(12),3,7,9-tetraen-11-one)

INCHI for NP0241228 (2-methyl-10-[(2-phenylethenyl)amino]-2,7-diazatricyclo[6.3.1.0⁴,¹²]dodeca-1(12),3,7,9-tetraen-11-one)

Structure for NP0241228 (2-methyl-10-[(2-phenylethenyl)amino]-2,7-diazatricyclo[6.3.1.0⁴,¹²]dodeca-1(12),3,7,9-tetraen-11-one)

3D Structure for NP0241228 (2-methyl-10-[(2-phenylethenyl)amino]-2,7-diazatricyclo[6.3.1.0⁴,¹²]dodeca-1(12),3,7,9-tetraen-11-one)