Mrv1533004201505122D 23 27 0 0 0 0 999 V2000 2.6077 1.4988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3356 0.7200 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8740 0.0949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6845 0.2486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1127 0.9538 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9157 0.7646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5936 1.2347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3397 0.8826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4079 0.0604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7299 -0.4097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9838 -0.0576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2229 -0.3765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9508 -1.1553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1402 -1.3091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6018 -0.6840 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7913 -0.8377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5191 -1.6165 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2529 -0.2126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4423 -0.3663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0961 0.2588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1761 1.0376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9866 1.1913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5250 0.5662 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 6 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 6 11 1 0 0 0 0 11 12 2 0 0 0 0 4 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 3 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 2 23 1 0 0 0 0 18 23 1 0 0 0 0 M END > NP0137235 > NP-MRD > CN1C2=CC=CC=C2C(=O)N2CCC3=C4C=CC=CC4=NC3=C12 > InChI=1S/C19H15N3O/c1-21-16-9-5-3-7-14(16)19(23)22-11-10-13-12-6-2-4-8-15(12)20-17(13)18(21)22/h2-9H,10-11H2,1H3 > VXHNSVKJHXSKKM-UHFFFAOYSA-N > C19H15N3O > 301.349 > 301.121512115 > 3 > 38 > 33.59273854960277 > 1 > 0 > 0 > 1 > 21-methyl-3,13,21-triazapentacyclo[11.8.0.0²,¹⁰.0⁴,⁹.0¹⁵,²⁰]henicosa-1,3,5,7,9,15,17,19-octaen-14-one > 2.27 > 2.4697235486666664 > -3.12 > 0 > 5 > 1 > 9.34983098469157 > 35.91 > 104.38099999999999 > 0 > 1 > 2.29e-01 g/l > 21-methyl-3,13,21-triazapentacyclo[11.8.0.0²,¹⁰.0⁴,⁹.0¹⁵,²⁰]henicosa-1,3,5,7,9,15,17,19-octaen-14-one > 1 > NP0137235 > Dehydroevodiamine $$$$