Mrv1533004231521572D 26 29 0 0 0 0 999 V2000 1.0066 -1.4617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7859 -1.1911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9412 -0.3808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4100 -1.7306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2547 -2.5409 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8788 -3.0805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7235 -3.8908 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6581 -2.8098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3807 -3.2079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9826 -2.6436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6320 -1.8969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2338 -1.3326 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9565 -1.7306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7358 -1.4600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3599 -1.9996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2046 -2.8098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4253 -3.0805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8012 -2.5409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8134 -1.9996 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1893 -1.4600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3446 -0.6497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3333 -3.3904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0800 -3.0398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5865 -3.7410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6839 -4.1372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2125 -4.8142 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 2 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 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 10 18 1 0 0 0 0 13 18 1 0 0 0 0 11 19 1 0 0 0 0 8 19 1 0 0 0 0 19 20 1 0 0 0 0 4 20 1 0 0 0 0 20 21 2 0 0 0 0 10 22 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 22 25 1 0 0 0 0 25 26 2 0 0 0 0 M END > NP0330160 > NP-MRD > CC(C)C1NC(=O)C2CC3(C(NC4=CC=CC=C34)N2C1=O)C(C)(C)C=C > InChI=1S/C21H27N3O2/c1-6-20(4,5)21-11-15-17(25)23-16(12(2)3)18(26)24(15)19(21)22-14-10-8-7-9-13(14)21/h6-10,12,15-16,19,22H,1,11H2,2-5H3,(H,23,25) > GFKUCJKLCHSSJN-UHFFFAOYSA-N > C21H27N3O2 > 353.466 > 353.210327121 > 3 > 53 > 38.860915748566384 > 1 > 2 > 0 > 1 > 9-(2-methylbut-3-en-2-yl)-4-(propan-2-yl)-2,5,16-triazatetracyclo[7.7.0.0²,⁷.0¹⁰,¹⁵]hexadeca-10,12,14-triene-3,6-dione > 2.84 > 2.7632472676666673 > -3.38 > 0 > 4 > 0 > 15.167260766693357 > 11.497628592852838 > 2.277987535586421 > 61.440000000000005 > 101.47639999999998 > 3 > 1 > 1.49e-01 g/l > 4-isopropyl-9-(2-methylbut-3-en-2-yl)-2,5,16-triazatetracyclo[7.7.0.0²,⁷.0¹⁰,¹⁵]hexadeca-10,12,14-triene-3,6-dione > 0 > NP0330160 > 6-hydroxy-4-isopropyl-9-(2-methylbut-3-en-2-yl)-2,5,16-triazatetracyclo[7.7.0.0²,⁷.0¹⁰,¹⁵]hexadeca-5,10,12,14-tetraen-3-one $$$$