(5aR,6R,9aS)-6,9a-dimethyl-2-(4-methylphenyl)-7-oxo-3-phenyl-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carbonitrile;(5aR,6R,9aS)-6,9a-dimethyl-3-(4-methylphenyl)-7-oxo-2-pyridin-4-yl-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carbonitrile;(5aR,6R,9aS)-6,9a-dimethyl-7-oxo-2,3-diphenyl-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carbonitrile;(5aR,6R,9aS)-6,9a-dimethyl-7-oxo-2-(4-phenylphenyl)-3-pyridin-3-yl-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carbonitrile;(5aR,6R,9aS)-6,9a-dimethyl-7-oxo-2-(4-phenylphenyl)-3-pyridin-4-yl-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carbonitrile;(5aR,6R,9aS)-6,9a-dimethyl-7-oxo-2-(3-phenylphenyl)-3-pyrimidin-4-yl-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carbonitrile;(5aR,6R,9aS)-6,9a-dimethyl-7-oxo-2-(4-phenylphenyl)-3-pyrimidin-4-yl-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carbonitrile;(5aR,6R,9aS)-6,9a-dimethyl-7-oxo-3-phenyl-2-pyridin-4-yl-4,5,5a,6-tetrahydrobenzo[e]benzimidazole-8-carbonitrile;(5aR,6R,9aS)-2-(4-chlorophenyl)-6,9a-dimethyl-7-oxo-3-phenyl-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carbonitrile;(5aR,6R,9aS)-3-(cyclobutylmethyl)-6,9a-dimethyl-7-oxo-2-(4-phenylphenyl)-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carbonitrile;(5aR,6R,9aS)-2-cyclohexyl-6,9a-dimethyl-7-oxo-3-phenyl-4,5,5a,6-tetrahydrobenzo[e]benzimidazole-8-carbonitrile;(5aR,6R,9aS)-2-(3,4-dichlorophenyl)-6,9a-dimethyl-7-oxo-3-phenyl-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carbonitrile;(5aR,6R,9aS)-3-(2-fluorophenyl)-6,9a-dimethyl-7-oxo-2-(4-phenylphenyl)-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carbonitrile;(5aR,6R,9aS)-3-(3-fluorophenyl)-6,9a-dimethyl-7-oxo-2-(3-phenylphenyl)-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carbonitrile;(5aR,6R,9aS)-2-(4-methoxyphenyl)-6,9a-dimethyl-7-oxo-3-phenyl-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carbonitrile

C426H376Cl3F2N53O16 — CID 158553627

IUPAC(5aR,6R,9aS)-6,9a-dimethyl-2-(4-methylphenyl)-7-oxo-3-phenyl-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carbonitrile;(5aR,6R,9aS)-6,9a-dimethyl-3-(4-methylphenyl)-7-oxo-2-pyridin-4-yl-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carbonitrile;(5aR,6R,9aS)-6,9a-dimethyl-7-oxo-2,3-diphenyl-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carbonitrile;(5aR,6R,9aS)-6,9a-dimethyl-7-oxo-2-(4-phenylphenyl)-3-pyridin-3-yl-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carbonitrile;(5aR,6R,9aS)-6,9a-dimethyl-7-oxo-2-(4-phenylphenyl)-3-pyridin-4-yl-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carbonitrile;(5aR,6R,9aS)-6,9a-dimethyl-7-oxo-2-(3-phenylphenyl)-3-pyrimidin-4-yl-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carbonitrile;(5aR,6R,9aS)-6,9a-dimethyl-7-oxo-2-(4-phenylphenyl)-3-pyrimidin-4-yl-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carbonitrile;(5aR,6R,9aS)-6,9a-dimethyl-7-oxo-3-phenyl-2-pyridin-4-yl-4,5,5a,6-tetrahydrobenzo[e]benzimidazole-8-carbonitrile;(5aR,6R,9aS)-2-(4-chlorophenyl)-6,9a-dimethyl-7-oxo-3-phenyl-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carbonitrile;(5aR,6R,9aS)-3-(cyclobutylmethyl)-6,9a-dimethyl-7-oxo-2-(4-phenylphenyl)-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carbonitrile;(5aR,6R,9aS)-2-cyclohexyl-6,9a-dimethyl-7-oxo-3-phenyl-4,5,5a,6-tetrahydrobenzo[e]benzimidazole-8-carbonitrile;(5aR,6R,9aS)-2-(3,4-dichlorophenyl)-6,9a-dimethyl-7-oxo-3-phenyl-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carbonitrile;(5aR,6R,9aS)-3-(2-fluorophenyl)-6,9a-dimethyl-7-oxo-2-(4-phenylphenyl)-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carbonitrile;(5aR,6R,9aS)-3-(3-fluorophenyl)-6,9a-dimethyl-7-oxo-2-(3-phenylphenyl)-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carbonitrile;(5aR,6R,9aS)-2-(4-methoxyphenyl)-6,9a-dimethyl-7-oxo-3-phenyl-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carbonitrile
SMILESCOc1ccc(-n2nc3c(c2-c2ccccc2)CC[C@@H]2[C@@H](C)C(=O)C(C#N)=C[C@@]32C)cc1.C[C@H]1C(=O)C(C#N)=C[C@@]2(C)c3nc(-c4ccncc4)n(-c4ccccc4)c3CC[C@H]12.C[C@H]1C(=O)C(C#N)=C[C@@]2(C)c3nc(C4CCCCC4)n(-c4ccccc4)c3CC[C@H]12.C[C@H]1C(=O)C(C#N)=C[C@@]2(C)c3nn(-c4ccc(-c5ccccc5)cc4)c(-c4ccccc4F)c3CC[C@H]12.C[C@H]1C(=O)C(C#N)=C[C@@]2(C)c3nn(-c4ccc(-c5ccccc5)cc4)c(-c4cccnc4)c3CC[C@H]12.C[C@H]1C(=O)C(C#N)=C[C@@]2(C)c3nn(-c4ccc(-c5ccccc5)cc4)c(-c4ccncc4)c3CC[C@H]12.C[C@H]1C(=O)C(C#N)=C[C@@]2(C)c3nn(-c4ccc(-c5ccccc5)cc4)c(-c4ccncn4)c3CC[C@H]12.C[C@H]1C(=O)C(C#N)=C[C@@]2(C)c3nn(-c4ccc(-c5ccccc5)cc4)c(CC4CCC4)c3CC[C@H]12.C[C@H]1C(=O)C(C#N)=C[C@@]2(C)c3nn(-c4ccc(Cl)c(Cl)c4)c(-c4ccccc4)c3CC[C@H]12.C[C@H]1C(=O)C(C#N)=C[C@@]2(C)c3nn(-c4ccc(Cl)cc4)c(-c4ccccc4)c3CC[C@H]12.C[C@H]1C(=O)C(C#N)=C[C@@]2(C)c3nn(-c4cccc(-c5ccccc5)c4)c(-c4cccc(F)c4)c3CC[C@H]12.C[C@H]1C(=O)C(C#N)=C[C@@]2(C)c3nn(-c4cccc(-c5ccccc5)c4)c(-c4ccncn4)c3CC[C@H]12.C[C@H]1C(=O)C(C#N)=C[C@@]2(C)c3nn(-c4ccccc4)c(-c4ccccc4)c3CC[C@H]12.Cc1ccc(-c2c3c(nn2-c2ccncc2)[C@]2(C)C=C(C#N)C(=O)[C@H](C)[C@H]2CC3)cc1.Cc1ccc(-n2nc3c(c2-c2ccccc2)CC[C@@H]2[C@@H](C)C(=O)C(C#N)=C[C@@]32C)cc1
InChIInChI=1S/2C32H26FN3O.2C31H26N4O.C31H31N3O.2C30H25N5O.C27H25N3O2.C27H25N3O.C26H21Cl2N3O.C26H22ClN3O.C26H24N4O.C26H23N3O.C26H29N3O.C25H22N4O/c1-20-28-15-14-27-29(23-11-6-12-25(33)16-23)36(35-31(27)32(28,2)18-24(19-34)30(20)37)26-13-7-10-22(17-26)21-8-4-3-5-9-21;1-20-27-17-16-26-29(25-10-6-7-11-28(25)33)36(35-31(26)32(27,2)18-23(19-34)30(20)37)24-14-12-22(13-15-24)21-8-4-3-5-9-21;1-20-27-15-14-26-28(23-9-6-16-33-19-23)35(34-30(26)31(27,2)17-24(18-32)29(20)36)25-12-10-22(11-13-25)21-7-4-3-5-8-21;1-20-27-13-12-26-28(23-14-16-33-17-15-23)35(34-30(26)31(27,2)18-24(19-32)29(20)36)25-10-8-22(9-11-25)21-6-4-3-5-7-21;1-20-27-16-15-26-28(17-21-7-6-8-21)34(33-30(26)31(27,2)18-24(19-32)29(20)35)25-13-11-23(12-14-25)22-9-4-3-5-10-22;1-19-25-12-11-24-27(26-13-14-32-18-33-26)35(34-29(24)30(25,2)16-22(17-31)28(19)36)23-10-6-9-21(15-23)20-7-4-3-5-8-20;1-19-25-13-12-24-27(26-14-15-32-18-33-26)35(34-29(24)30(25,2)16-22(17-31)28(19)36)23-10-8-21(9-11-23)20-6-4-3-5-7-20;1-17-23-14-13-22-24(18-7-5-4-6-8-18)30(20-9-11-21(32-3)12-10-20)29-26(22)27(23,2)15-19(16-28)25(17)31;1-17-9-11-21(12-10-17)30-24(19-7-5-4-6-8-19)22-13-14-23-18(2)25(31)20(16-28)15-27(23,3)26(22)29-30;1-15-20-10-9-19-23(16-6-4-3-5-7-16)31(18-8-11-21(27)22(28)12-18)30-25(19)26(20,2)13-17(14-29)24(15)32;1-16-22-13-12-21-23(17-6-4-3-5-7-17)30(20-10-8-19(27)9-11-20)29-25(21)26(22,2)14-18(15-28)24(16)31;1-16-4-6-18(7-5-16)23-21-8-9-22-17(2)24(31)19(15-27)14-26(22,3)25(21)29-30(23)20-10-12-28-13-11-20;1-17-22-14-13-21-23(18-9-5-3-6-10-18)29(20-11-7-4-8-12-20)28-25(21)26(22,2)15-19(16-27)24(17)30;1-17-21-13-14-22-24(26(21,2)15-19(16-27)23(17)30)28-25(18-9-5-3-6-10-18)29(22)20-11-7-4-8-12-20;1-16-20-8-9-21-23(25(20,2)14-18(15-26)22(16)30)28-24(17-10-12-27-13-11-17)29(21)19-6-4-3-5-7-19/h3-13,16-18,20,28H,14-15H2,1-2H3;3-15,18,20,27H,16-17H2,1-2H3;3-13,16-17,19-20,27H,14-15H2,1-2H3;3-11,14-18,20,27H,12-13H2,1-2H3;3-5,9-14,18,20-21,27H,6-8,15-17H2,1-2H3;3-10,13-16,18-19,25H,11-12H2,1-2H3;3-11,14-16,18-19,25H,12-13H2,1-2H3;4-12,15,17,23H,13-14H2,1-3H3;4-12,15,18,23H,13-14H2,1-3H3;3-8,11-13,15,20H,9-10H2,1-2H3;3-11,14,16,22H,12-13H2,1-2H3;4-7,10-14,17,22H,8-9H2,1-3H3;3-12,15,17,22H,13-14H2,1-2H3;4,7-8,11-12,15,17-18,21H,3,5-6,9-10,13-14H2,1-2H3;3-7,10-14,16,20H,8-9H2,1-2H3/t20-,28-,32-;20-,27-,32-;3*20-,27-,31-;2*19-,25-,30-;17-,23-,27-;18-,23-,27-;15-,20-,26-;16-,22-,26-;2*17-,22-,26-;17-,21-,26-;16-,20-,25-/m111111111111111/s1
InChIKeyHQACLBNSMATTDG-NPKJRLTGSA-N
MW6638.40 g/mol
LogP85.17
Rot. Bonds39

About (5aR,6R,9aS)-6,9a-dimethyl-2-(4-methylphenyl)-7-oxo-3-phenyl-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carbonitrile;(5aR,6R,9aS)-6,9a-dimethyl-3-(4-methylphenyl)-7-oxo-2-pyridin-4-yl-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carbonitrile;(5aR,6R,9aS)-6,9a-dimethyl-7-oxo-2,3-diphenyl-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carbonitrile;(5aR,6R,9aS)-6,9a-dimethyl-7-oxo-2-(4-phenylphenyl)-3-pyridin-3-yl-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carbonitrile;(5aR,6R,9aS)-6,9a-dimethyl-7-oxo-2-(4-phenylphenyl)-3-pyridin-4-yl-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carbonitrile;(5aR,6R,9aS)-6,9a-dimethyl-7-oxo-2-(3-phenylphenyl)-3-pyrimidin-4-yl-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carbonitrile;(5aR,6R,9aS)-6,9a-dimethyl-7-oxo-2-(4-phenylphenyl)-3-pyrimidin-4-yl-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carbonitrile;(5aR,6R,9aS)-6,9a-dimethyl-7-oxo-3-phenyl-2-pyridin-4-yl-4,5,5a,6-tetrahydrobenzo[e]benzimidazole-8-carbonitrile;(5aR,6R,9aS)-2-(4-chlorophenyl)-6,9a-dimethyl-7-oxo-3-phenyl-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carbonitrile;(5aR,6R,9aS)-3-(cyclobutylmethyl)-6,9a-dimethyl-7-oxo-2-(4-phenylphenyl)-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carbonitrile;(5aR,6R,9aS)-2-cyclohexyl-6,9a-dimethyl-7-oxo-3-phenyl-4,5,5a,6-tetrahydrobenzo[e]benzimidazole-8-carbonitrile;(5aR,6R,9aS)-2-(3,4-dichlorophenyl)-6,9a-dimethyl-7-oxo-3-phenyl-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carbonitrile;(5aR,6R,9aS)-3-(2-fluorophenyl)-6,9a-dimethyl-7-oxo-2-(4-phenylphenyl)-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carbonitrile;(5aR,6R,9aS)-3-(3-fluorophenyl)-6,9a-dimethyl-7-oxo-2-(3-phenylphenyl)-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carbonitrile;(5aR,6R,9aS)-2-(4-methoxyphenyl)-6,9a-dimethyl-7-oxo-3-phenyl-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carbonitrile

(5aR,6R,9aS)-6,9a-dimethyl-2-(4-methylphenyl)-7-oxo-3-phenyl-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carbonitrile;(5aR,6R,9aS)-6,9a-dimethyl-3-(4-methylphenyl)-7-oxo-2-pyridin-4-yl-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carbonitrile;(5aR,6R,9aS)-6,9a-dimethyl-7-oxo-2,3-diphenyl-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carbonitrile;(5aR,6R,9aS)-6,9a-dimethyl-7-oxo-2-(4-phenylphenyl)-3-pyridin-3-yl-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carbonitrile;(5aR,6R,9aS)-6,9a-dimethyl-7-oxo-2-(4-phenylphenyl)-3-pyridin-4-yl-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carbonitrile;(5aR,6R,9aS)-6,9a-dimethyl-7-oxo-2-(3-phenylphenyl)-3-pyrimidin-4-yl-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carbonitrile;(5aR,6R,9aS)-6,9a-dimethyl-7-oxo-2-(4-phenylphenyl)-3-pyrimidin-4-yl-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carbonitrile;(5aR,6R,9aS)-6,9a-dimethyl-7-oxo-3-phenyl-2-pyridin-4-yl-4,5,5a,6-tetrahydrobenzo[e]benzimidazole-8-carbonitrile;(5aR,6R,9aS)-2-(4-chlorophenyl)-6,9a-dimethyl-7-oxo-3-phenyl-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carbonitrile;(5aR,6R,9aS)-3-(cyclobutylmethyl)-6,9a-dimethyl-7-oxo-2-(4-phenylphenyl)-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carbonitrile;(5aR,6R,9aS)-2-cyclohexyl-6,9a-dimethyl-7-oxo-3-phenyl-4,5,5a,6-tetrahydrobenzo[e]benzimidazole-8-carbonitrile;(5aR,6R,9aS)-2-(3,4-dichlorophenyl)-6,9a-dimethyl-7-oxo-3-phenyl-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carbonitrile;(5aR,6R,9aS)-3-(2-fluorophenyl)-6,9a-dimethyl-7-oxo-2-(4-phenylphenyl)-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carbonitrile;(5aR,6R,9aS)-3-(3-fluorophenyl)-6,9a-dimethyl-7-oxo-2-(3-phenylphenyl)-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carbonitrile;(5aR,6R,9aS)-2-(4-methoxyphenyl)-6,9a-dimethyl-7-oxo-3-phenyl-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carbonitrile (PubChem CID 158553627) has the molecular formula C426H376Cl3F2N53O16 and a molecular weight of 6638.40 g/mol. Its IUPAC name is (5aR,6R,9aS)-6,9a-dimethyl-2-(4-methylphenyl)-7-oxo-3-phenyl-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carbonitrile;(5aR,6R,9aS)-6,9a-dimethyl-3-(4-methylphenyl)-7-oxo-2-pyridin-4-yl-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carbonitrile;(5aR,6R,9aS)-6,9a-dimethyl-7-oxo-2,3-diphenyl-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carbonitrile;(5aR,6R,9aS)-6,9a-dimethyl-7-oxo-2-(4-phenylphenyl)-3-pyridin-3-yl-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carbonitrile;(5aR,6R,9aS)-6,9a-dimethyl-7-oxo-2-(4-phenylphenyl)-3-pyridin-4-yl-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carbonitrile;(5aR,6R,9aS)-6,9a-dimethyl-7-oxo-2-(3-phenylphenyl)-3-pyrimidin-4-yl-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carbonitrile;(5aR,6R,9aS)-6,9a-dimethyl-7-oxo-2-(4-phenylphenyl)-3-pyrimidin-4-yl-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carbonitrile;(5aR,6R,9aS)-6,9a-dimethyl-7-oxo-3-phenyl-2-pyridin-4-yl-4,5,5a,6-tetrahydrobenzo[e]benzimidazole-8-carbonitrile;(5aR,6R,9aS)-2-(4-chlorophenyl)-6,9a-dimethyl-7-oxo-3-phenyl-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carbonitrile;(5aR,6R,9aS)-3-(cyclobutylmethyl)-6,9a-dimethyl-7-oxo-2-(4-phenylphenyl)-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carbonitrile;(5aR,6R,9aS)-2-cyclohexyl-6,9a-dimethyl-7-oxo-3-phenyl-4,5,5a,6-tetrahydrobenzo[e]benzimidazole-8-carbonitrile;(5aR,6R,9aS)-2-(3,4-dichlorophenyl)-6,9a-dimethyl-7-oxo-3-phenyl-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carbonitrile;(5aR,6R,9aS)-3-(2-fluorophenyl)-6,9a-dimethyl-7-oxo-2-(4-phenylphenyl)-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carbonitrile;(5aR,6R,9aS)-3-(3-fluorophenyl)-6,9a-dimethyl-7-oxo-2-(3-phenylphenyl)-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carbonitrile;(5aR,6R,9aS)-2-(4-methoxyphenyl)-6,9a-dimethyl-7-oxo-3-phenyl-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carbonitrile.

Molecular Properties

Compound Name(5aR,6R,9aS)-6,9a-dimethyl-2-(4-methylphenyl)-7-oxo-3-phenyl-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carbonitrile;(5aR,6R,9aS)-6,9a-dimethyl-3-(4-methylphenyl)-7-oxo-2-pyridin-4-yl-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carbonitrile;(5aR,6R,9aS)-6,9a-dimethyl-7-oxo-2,3-diphenyl-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carbonitrile;(5aR,6R,9aS)-6,9a-dimethyl-7-oxo-2-(4-phenylphenyl)-3-pyridin-3-yl-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carbonitrile;(5aR,6R,9aS)-6,9a-dimethyl-7-oxo-2-(4-phenylphenyl)-3-pyridin-4-yl-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carbonitrile;(5aR,6R,9aS)-6,9a-dimethyl-7-oxo-2-(3-phenylphenyl)-3-pyrimidin-4-yl-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carbonitrile;(5aR,6R,9aS)-6,9a-dimethyl-7-oxo-2-(4-phenylphenyl)-3-pyrimidin-4-yl-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carbonitrile;(5aR,6R,9aS)-6,9a-dimethyl-7-oxo-3-phenyl-2-pyridin-4-yl-4,5,5a,6-tetrahydrobenzo[e]benzimidazole-8-carbonitrile;(5aR,6R,9aS)-2-(4-chlorophenyl)-6,9a-dimethyl-7-oxo-3-phenyl-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carbonitrile;(5aR,6R,9aS)-3-(cyclobutylmethyl)-6,9a-dimethyl-7-oxo-2-(4-phenylphenyl)-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carbonitrile;(5aR,6R,9aS)-2-cyclohexyl-6,9a-dimethyl-7-oxo-3-phenyl-4,5,5a,6-tetrahydrobenzo[e]benzimidazole-8-carbonitrile;(5aR,6R,9aS)-2-(3,4-dichlorophenyl)-6,9a-dimethyl-7-oxo-3-phenyl-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carbonitrile;(5aR,6R,9aS)-3-(2-fluorophenyl)-6,9a-dimethyl-7-oxo-2-(4-phenylphenyl)-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carbonitrile;(5aR,6R,9aS)-3-(3-fluorophenyl)-6,9a-dimethyl-7-oxo-2-(3-phenylphenyl)-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carbonitrile;(5aR,6R,9aS)-2-(4-methoxyphenyl)-6,9a-dimethyl-7-oxo-3-phenyl-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carbonitrile
PubChem CID158553627
Molecular FormulaC426H376Cl3F2N53O16
Molecular Weight6638.40 g/mol
Exact Mass6631.93
IUPAC Name(5aR,6R,9aS)-6,9a-dimethyl-2-(4-methylphenyl)-7-oxo-3-phenyl-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carbonitrile;(5aR,6R,9aS)-6,9a-dimethyl-3-(4-methylphenyl)-7-oxo-2-pyridin-4-yl-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carbonitrile;(5aR,6R,9aS)-6,9a-dimethyl-7-oxo-2,3-diphenyl-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carbonitrile;(5aR,6R,9aS)-6,9a-dimethyl-7-oxo-2-(4-phenylphenyl)-3-pyridin-3-yl-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carbonitrile;(5aR,6R,9aS)-6,9a-dimethyl-7-oxo-2-(4-phenylphenyl)-3-pyridin-4-yl-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carbonitrile;(5aR,6R,9aS)-6,9a-dimethyl-7-oxo-2-(3-phenylphenyl)-3-pyrimidin-4-yl-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carbonitrile;(5aR,6R,9aS)-6,9a-dimethyl-7-oxo-2-(4-phenylphenyl)-3-pyrimidin-4-yl-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carbonitrile;(5aR,6R,9aS)-6,9a-dimethyl-7-oxo-3-phenyl-2-pyridin-4-yl-4,5,5a,6-tetrahydrobenzo[e]benzimidazole-8-carbonitrile;(5aR,6R,9aS)-2-(4-chlorophenyl)-6,9a-dimethyl-7-oxo-3-phenyl-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carbonitrile;(5aR,6R,9aS)-3-(cyclobutylmethyl)-6,9a-dimethyl-7-oxo-2-(4-phenylphenyl)-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carbonitrile;(5aR,6R,9aS)-2-cyclohexyl-6,9a-dimethyl-7-oxo-3-phenyl-4,5,5a,6-tetrahydrobenzo[e]benzimidazole-8-carbonitrile;(5aR,6R,9aS)-2-(3,4-dichlorophenyl)-6,9a-dimethyl-7-oxo-3-phenyl-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carbonitrile;(5aR,6R,9aS)-3-(2-fluorophenyl)-6,9a-dimethyl-7-oxo-2-(4-phenylphenyl)-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carbonitrile;(5aR,6R,9aS)-3-(3-fluorophenyl)-6,9a-dimethyl-7-oxo-2-(3-phenylphenyl)-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carbonitrile;(5aR,6R,9aS)-2-(4-methoxyphenyl)-6,9a-dimethyl-7-oxo-3-phenyl-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carbonitrile
SMILESCOc1ccc(-n2nc3c(c2-c2ccccc2)CC[C@@H]2[C@@H](C)C(=O)C(C#N)=C[C@@]32C)cc1.C[C@H]1C(=O)C(C#N)=C[C@@]2(C)c3nc(-c4ccncc4)n(-c4ccccc4)c3CC[C@H]12.C[C@H]1C(=O)C(C#N)=C[C@@]2(C)c3nc(C4CCCCC4)n(-c4ccccc4)c3CC[C@H]12.C[C@H]1C(=O)C(C#N)=C[C@@]2(C)c3nn(-c4ccc(-c5ccccc5)cc4)c(-c4ccccc4F)c3CC[C@H]12.C[C@H]1C(=O)C(C#N)=C[C@@]2(C)c3nn(-c4ccc(-c5ccccc5)cc4)c(-c4cccnc4)c3CC[C@H]12.C[C@H]1C(=O)C(C#N)=C[C@@]2(C)c3nn(-c4ccc(-c5ccccc5)cc4)c(-c4ccncc4)c3CC[C@H]12.C[C@H]1C(=O)C(C#N)=C[C@@]2(C)c3nn(-c4ccc(-c5ccccc5)cc4)c(-c4ccncn4)c3CC[C@H]12.C[C@H]1C(=O)C(C#N)=C[C@@]2(C)c3nn(-c4ccc(-c5ccccc5)cc4)c(CC4CCC4)c3CC[C@H]12.C[C@H]1C(=O)C(C#N)=C[C@@]2(C)c3nn(-c4ccc(Cl)c(Cl)c4)c(-c4ccccc4)c3CC[C@H]12.C[C@H]1C(=O)C(C#N)=C[C@@]2(C)c3nn(-c4ccc(Cl)cc4)c(-c4ccccc4)c3CC[C@H]12.C[C@H]1C(=O)C(C#N)=C[C@@]2(C)c3nn(-c4cccc(-c5ccccc5)c4)c(-c4cccc(F)c4)c3CC[C@H]12.C[C@H]1C(=O)C(C#N)=C[C@@]2(C)c3nn(-c4cccc(-c5ccccc5)c4)c(-c4ccncn4)c3CC[C@H]12.C[C@H]1C(=O)C(C#N)=C[C@@]2(C)c3nn(-c4ccccc4)c(-c4ccccc4)c3CC[C@H]12.Cc1ccc(-c2c3c(nn2-c2ccncc2)[C@]2(C)C=C(C#N)C(=O)[C@H](C)[C@H]2CC3)cc1.Cc1ccc(-n2nc3c(c2-c2ccccc2)CC[C@@H]2[C@@H](C)C(=O)C(C#N)=C[C@@]32C)cc1
InChIInChI=1S/2C32H26FN3O.2C31H26N4O.C31H31N3O.2C30H25N5O.C27H25N3O2.C27H25N3O.C26H21Cl2N3O.C26H22ClN3O.C26H24N4O.C26H23N3O.C26H29N3O.C25H22N4O/c1-20-28-15-14-27-29(23-11-6-12-25(33)16-23)36(35-31(27)32(28,2)18-24(19-34)30(20)37)26-13-7-10-22(17-26)21-8-4-3-5-9-21;1-20-27-17-16-26-29(25-10-6-7-11-28(25)33)36(35-31(26)32(27,2)18-23(19-34)30(20)37)24-14-12-22(13-15-24)21-8-4-3-5-9-21;1-20-27-15-14-26-28(23-9-6-16-33-19-23)35(34-30(26)31(27,2)17-24(18-32)29(20)36)25-12-10-22(11-13-25)21-7-4-3-5-8-21;1-20-27-13-12-26-28(23-14-16-33-17-15-23)35(34-30(26)31(27,2)18-24(19-32)29(20)36)25-10-8-22(9-11-25)21-6-4-3-5-7-21;1-20-27-16-15-26-28(17-21-7-6-8-21)34(33-30(26)31(27,2)18-24(19-32)29(20)35)25-13-11-23(12-14-25)22-9-4-3-5-10-22;1-19-25-12-11-24-27(26-13-14-32-18-33-26)35(34-29(24)30(25,2)16-22(17-31)28(19)36)23-10-6-9-21(15-23)20-7-4-3-5-8-20;1-19-25-13-12-24-27(26-14-15-32-18-33-26)35(34-29(24)30(25,2)16-22(17-31)28(19)36)23-10-8-21(9-11-23)20-6-4-3-5-7-20;1-17-23-14-13-22-24(18-7-5-4-6-8-18)30(20-9-11-21(32-3)12-10-20)29-26(22)27(23,2)15-19(16-28)25(17)31;1-17-9-11-21(12-10-17)30-24(19-7-5-4-6-8-19)22-13-14-23-18(2)25(31)20(16-28)15-27(23,3)26(22)29-30;1-15-20-10-9-19-23(16-6-4-3-5-7-16)31(18-8-11-21(27)22(28)12-18)30-25(19)26(20,2)13-17(14-29)24(15)32;1-16-22-13-12-21-23(17-6-4-3-5-7-17)30(20-10-8-19(27)9-11-20)29-25(21)26(22,2)14-18(15-28)24(16)31;1-16-4-6-18(7-5-16)23-21-8-9-22-17(2)24(31)19(15-27)14-26(22,3)25(21)29-30(23)20-10-12-28-13-11-20;1-17-22-14-13-21-23(18-9-5-3-6-10-18)29(20-11-7-4-8-12-20)28-25(21)26(22,2)15-19(16-27)24(17)30;1-17-21-13-14-22-24(26(21,2)15-19(16-27)23(17)30)28-25(18-9-5-3-6-10-18)29(22)20-11-7-4-8-12-20;1-16-20-8-9-21-23(25(20,2)14-18(15-26)22(16)30)28-24(17-10-12-27-13-11-17)29(21)19-6-4-3-5-7-19/h3-13,16-18,20,28H,14-15H2,1-2H3;3-15,18,20,27H,16-17H2,1-2H3;3-13,16-17,19-20,27H,14-15H2,1-2H3;3-11,14-18,20,27H,12-13H2,1-2H3;3-5,9-14,18,20-21,27H,6-8,15-17H2,1-2H3;3-10,13-16,18-19,25H,11-12H2,1-2H3;3-11,14-16,18-19,25H,12-13H2,1-2H3;4-12,15,17,23H,13-14H2,1-3H3;4-12,15,18,23H,13-14H2,1-3H3;3-8,11-13,15,20H,9-10H2,1-2H3;3-11,14,16,22H,12-13H2,1-2H3;4-7,10-14,17,22H,8-9H2,1-3H3;3-12,15,17,22H,13-14H2,1-2H3;4,7-8,11-12,15,17-18,21H,3,5-6,9-10,13-14H2,1-2H3;3-7,10-14,16,20H,8-9H2,1-2H3/t20-,28-,32-;20-,27-,32-;3*20-,27-,31-;2*19-,25-,30-;17-,23-,27-;18-,23-,27-;15-,20-,26-;16-,22-,26-;2*17-,22-,26-;17-,21-,26-;16-,20-,25-/m111111111111111/s1
InChIKeyHQACLBNSMATTDG-NPKJRLTGSA-N
XLogP85.17
TPSA992.55 Ų
H-Bond Donors
H-Bond Acceptors69
Rotatable Bonds39
Heavy Atoms500
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5006638.40
LogP ≤ 585.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1069

Analyze (5aR,6R,9aS)-6,9a-dimethyl-2-(4-methylphenyl)-7-oxo-3-phenyl-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carbonitrile;(5aR,6R,9aS)-6,9a-dimethyl-3-(4-methylphenyl)-7-oxo-2-pyridin-4-yl-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carbonitrile;(5aR,6R,9aS)-6,9a-dimethyl-7-oxo-2,3-diphenyl-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carbonitrile;(5aR,6R,9aS)-6,9a-dimethyl-7-oxo-2-(4-phenylphenyl)-3-pyridin-3-yl-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carbonitrile;(5aR,6R,9aS)-6,9a-dimethyl-7-oxo-2-(4-phenylphenyl)-3-pyridin-4-yl-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carbonitrile;(5aR,6R,9aS)-6,9a-dimethyl-7-oxo-2-(3-phenylphenyl)-3-pyrimidin-4-yl-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carbonitrile;(5aR,6R,9aS)-6,9a-dimethyl-7-oxo-2-(4-phenylphenyl)-3-pyrimidin-4-yl-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carbonitrile;(5aR,6R,9aS)-6,9a-dimethyl-7-oxo-3-phenyl-2-pyridin-4-yl-4,5,5a,6-tetrahydrobenzo[e]benzimidazole-8-carbonitrile;(5aR,6R,9aS)-2-(4-chlorophenyl)-6,9a-dimethyl-7-oxo-3-phenyl-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carbonitrile;(5aR,6R,9aS)-3-(cyclobutylmethyl)-6,9a-dimethyl-7-oxo-2-(4-phenylphenyl)-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carbonitrile;(5aR,6R,9aS)-2-cyclohexyl-6,9a-dimethyl-7-oxo-3-phenyl-4,5,5a,6-tetrahydrobenzo[e]benzimidazole-8-carbonitrile;(5aR,6R,9aS)-2-(3,4-dichlorophenyl)-6,9a-dimethyl-7-oxo-3-phenyl-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carbonitrile;(5aR,6R,9aS)-3-(2-fluorophenyl)-6,9a-dimethyl-7-oxo-2-(4-phenylphenyl)-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carbonitrile;(5aR,6R,9aS)-3-(3-fluorophenyl)-6,9a-dimethyl-7-oxo-2-(3-phenylphenyl)-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carbonitrile;(5aR,6R,9aS)-2-(4-methoxyphenyl)-6,9a-dimethyl-7-oxo-3-phenyl-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carbonitrile with MolForge

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What is the IUPAC name of (5aR,6R,9aS)-6,9a-dimethyl-2-(4-methylphenyl)-7-oxo-3-phenyl-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carbonitrile;(5aR,6R,9aS)-6,9a-dimethyl-3-(4-methylphenyl)-7-oxo-2-pyridin-4-yl-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carbonitrile;(5aR,6R,9aS)-6,9a-dimethyl-7-oxo-2,3-diphenyl-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carbonitrile;(5aR,6R,9aS)-6,9a-dimethyl-7-oxo-2-(4-phenylphenyl)-3-pyridin-3-yl-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carbonitrile;(5aR,6R,9aS)-6,9a-dimethyl-7-oxo-2-(4-phenylphenyl)-3-pyridin-4-yl-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carbonitrile;(5aR,6R,9aS)-6,9a-dimethyl-7-oxo-2-(3-phenylphenyl)-3-pyrimidin-4-yl-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carbonitrile;(5aR,6R,9aS)-6,9a-dimethyl-7-oxo-2-(4-phenylphenyl)-3-pyrimidin-4-yl-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carbonitrile;(5aR,6R,9aS)-6,9a-dimethyl-7-oxo-3-phenyl-2-pyridin-4-yl-4,5,5a,6-tetrahydrobenzo[e]benzimidazole-8-carbonitrile;(5aR,6R,9aS)-2-(4-chlorophenyl)-6,9a-dimethyl-7-oxo-3-phenyl-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carbonitrile;(5aR,6R,9aS)-3-(cyclobutylmethyl)-6,9a-dimethyl-7-oxo-2-(4-phenylphenyl)-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carbonitrile;(5aR,6R,9aS)-2-cyclohexyl-6,9a-dimethyl-7-oxo-3-phenyl-4,5,5a,6-tetrahydrobenzo[e]benzimidazole-8-carbonitrile;(5aR,6R,9aS)-2-(3,4-dichlorophenyl)-6,9a-dimethyl-7-oxo-3-phenyl-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carbonitrile;(5aR,6R,9aS)-3-(2-fluorophenyl)-6,9a-dimethyl-7-oxo-2-(4-phenylphenyl)-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carbonitrile;(5aR,6R,9aS)-3-(3-fluorophenyl)-6,9a-dimethyl-7-oxo-2-(3-phenylphenyl)-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carbonitrile;(5aR,6R,9aS)-2-(4-methoxyphenyl)-6,9a-dimethyl-7-oxo-3-phenyl-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carbonitrile?
The IUPAC name of (5aR,6R,9aS)-6,9a-dimethyl-2-(4-methylphenyl)-7-oxo-3-phenyl-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carbonitrile;(5aR,6R,9aS)-6,9a-dimethyl-3-(4-methylphenyl)-7-oxo-2-pyridin-4-yl-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carbonitrile;(5aR,6R,9aS)-6,9a-dimethyl-7-oxo-2,3-diphenyl-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carbonitrile;(5aR,6R,9aS)-6,9a-dimethyl-7-oxo-2-(4-phenylphenyl)-3-pyridin-3-yl-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carbonitrile;(5aR,6R,9aS)-6,9a-dimethyl-7-oxo-2-(4-phenylphenyl)-3-pyridin-4-yl-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carbonitrile;(5aR,6R,9aS)-6,9a-dimethyl-7-oxo-2-(3-phenylphenyl)-3-pyrimidin-4-yl-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carbonitrile;(5aR,6R,9aS)-6,9a-dimethyl-7-oxo-2-(4-phenylphenyl)-3-pyrimidin-4-yl-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carbonitrile;(5aR,6R,9aS)-6,9a-dimethyl-7-oxo-3-phenyl-2-pyridin-4-yl-4,5,5a,6-tetrahydrobenzo[e]benzimidazole-8-carbonitrile;(5aR,6R,9aS)-2-(4-chlorophenyl)-6,9a-dimethyl-7-oxo-3-phenyl-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carbonitrile;(5aR,6R,9aS)-3-(cyclobutylmethyl)-6,9a-dimethyl-7-oxo-2-(4-phenylphenyl)-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carbonitrile;(5aR,6R,9aS)-2-cyclohexyl-6,9a-dimethyl-7-oxo-3-phenyl-4,5,5a,6-tetrahydrobenzo[e]benzimidazole-8-carbonitrile;(5aR,6R,9aS)-2-(3,4-dichlorophenyl)-6,9a-dimethyl-7-oxo-3-phenyl-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carbonitrile;(5aR,6R,9aS)-3-(2-fluorophenyl)-6,9a-dimethyl-7-oxo-2-(4-phenylphenyl)-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carbonitrile;(5aR,6R,9aS)-3-(3-fluorophenyl)-6,9a-dimethyl-7-oxo-2-(3-phenylphenyl)-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carbonitrile;(5aR,6R,9aS)-2-(4-methoxyphenyl)-6,9a-dimethyl-7-oxo-3-phenyl-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carbonitrile (CID 158553627) is (5aR,6R,9aS)-6,9a-dimethyl-2-(4-methylphenyl)-7-oxo-3-phenyl-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carbonitrile;(5aR,6R,9aS)-6,9a-dimethyl-3-(4-methylphenyl)-7-oxo-2-pyridin-4-yl-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carbonitrile;(5aR,6R,9aS)-6,9a-dimethyl-7-oxo-2,3-diphenyl-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carbonitrile;(5aR,6R,9aS)-6,9a-dimethyl-7-oxo-2-(4-phenylphenyl)-3-pyridin-3-yl-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carbonitrile;(5aR,6R,9aS)-6,9a-dimethyl-7-oxo-2-(4-phenylphenyl)-3-pyridin-4-yl-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carbonitrile;(5aR,6R,9aS)-6,9a-dimethyl-7-oxo-2-(3-phenylphenyl)-3-pyrimidin-4-yl-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carbonitrile;(5aR,6R,9aS)-6,9a-dimethyl-7-oxo-2-(4-phenylphenyl)-3-pyrimidin-4-yl-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carbonitrile;(5aR,6R,9aS)-6,9a-dimethyl-7-oxo-3-phenyl-2-pyridin-4-yl-4,5,5a,6-tetrahydrobenzo[e]benzimidazole-8-carbonitrile;(5aR,6R,9aS)-2-(4-chlorophenyl)-6,9a-dimethyl-7-oxo-3-phenyl-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carbonitrile;(5aR,6R,9aS)-3-(cyclobutylmethyl)-6,9a-dimethyl-7-oxo-2-(4-phenylphenyl)-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carbonitrile;(5aR,6R,9aS)-2-cyclohexyl-6,9a-dimethyl-7-oxo-3-phenyl-4,5,5a,6-tetrahydrobenzo[e]benzimidazole-8-carbonitrile;(5aR,6R,9aS)-2-(3,4-dichlorophenyl)-6,9a-dimethyl-7-oxo-3-phenyl-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carbonitrile;(5aR,6R,9aS)-3-(2-fluorophenyl)-6,9a-dimethyl-7-oxo-2-(4-phenylphenyl)-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carbonitrile;(5aR,6R,9aS)-3-(3-fluorophenyl)-6,9a-dimethyl-7-oxo-2-(3-phenylphenyl)-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carbonitrile;(5aR,6R,9aS)-2-(4-methoxyphenyl)-6,9a-dimethyl-7-oxo-3-phenyl-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carbonitrile.
What is the SMILES notation for (5aR,6R,9aS)-6,9a-dimethyl-2-(4-methylphenyl)-7-oxo-3-phenyl-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carbonitrile;(5aR,6R,9aS)-6,9a-dimethyl-3-(4-methylphenyl)-7-oxo-2-pyridin-4-yl-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carbonitrile;(5aR,6R,9aS)-6,9a-dimethyl-7-oxo-2,3-diphenyl-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carbonitrile;(5aR,6R,9aS)-6,9a-dimethyl-7-oxo-2-(4-phenylphenyl)-3-pyridin-3-yl-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carbonitrile;(5aR,6R,9aS)-6,9a-dimethyl-7-oxo-2-(4-phenylphenyl)-3-pyridin-4-yl-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carbonitrile;(5aR,6R,9aS)-6,9a-dimethyl-7-oxo-2-(3-phenylphenyl)-3-pyrimidin-4-yl-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carbonitrile;(5aR,6R,9aS)-6,9a-dimethyl-7-oxo-2-(4-phenylphenyl)-3-pyrimidin-4-yl-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carbonitrile;(5aR,6R,9aS)-6,9a-dimethyl-7-oxo-3-phenyl-2-pyridin-4-yl-4,5,5a,6-tetrahydrobenzo[e]benzimidazole-8-carbonitrile;(5aR,6R,9aS)-2-(4-chlorophenyl)-6,9a-dimethyl-7-oxo-3-phenyl-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carbonitrile;(5aR,6R,9aS)-3-(cyclobutylmethyl)-6,9a-dimethyl-7-oxo-2-(4-phenylphenyl)-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carbonitrile;(5aR,6R,9aS)-2-cyclohexyl-6,9a-dimethyl-7-oxo-3-phenyl-4,5,5a,6-tetrahydrobenzo[e]benzimidazole-8-carbonitrile;(5aR,6R,9aS)-2-(3,4-dichlorophenyl)-6,9a-dimethyl-7-oxo-3-phenyl-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carbonitrile;(5aR,6R,9aS)-3-(2-fluorophenyl)-6,9a-dimethyl-7-oxo-2-(4-phenylphenyl)-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carbonitrile;(5aR,6R,9aS)-3-(3-fluorophenyl)-6,9a-dimethyl-7-oxo-2-(3-phenylphenyl)-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carbonitrile;(5aR,6R,9aS)-2-(4-methoxyphenyl)-6,9a-dimethyl-7-oxo-3-phenyl-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carbonitrile?
The canonical SMILES for (5aR,6R,9aS)-6,9a-dimethyl-2-(4-methylphenyl)-7-oxo-3-phenyl-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carbonitrile;(5aR,6R,9aS)-6,9a-dimethyl-3-(4-methylphenyl)-7-oxo-2-pyridin-4-yl-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carbonitrile;(5aR,6R,9aS)-6,9a-dimethyl-7-oxo-2,3-diphenyl-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carbonitrile;(5aR,6R,9aS)-6,9a-dimethyl-7-oxo-2-(4-phenylphenyl)-3-pyridin-3-yl-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carbonitrile;(5aR,6R,9aS)-6,9a-dimethyl-7-oxo-2-(4-phenylphenyl)-3-pyridin-4-yl-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carbonitrile;(5aR,6R,9aS)-6,9a-dimethyl-7-oxo-2-(3-phenylphenyl)-3-pyrimidin-4-yl-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carbonitrile;(5aR,6R,9aS)-6,9a-dimethyl-7-oxo-2-(4-phenylphenyl)-3-pyrimidin-4-yl-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carbonitrile;(5aR,6R,9aS)-6,9a-dimethyl-7-oxo-3-phenyl-2-pyridin-4-yl-4,5,5a,6-tetrahydrobenzo[e]benzimidazole-8-carbonitrile;(5aR,6R,9aS)-2-(4-chlorophenyl)-6,9a-dimethyl-7-oxo-3-phenyl-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carbonitrile;(5aR,6R,9aS)-3-(cyclobutylmethyl)-6,9a-dimethyl-7-oxo-2-(4-phenylphenyl)-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carbonitrile;(5aR,6R,9aS)-2-cyclohexyl-6,9a-dimethyl-7-oxo-3-phenyl-4,5,5a,6-tetrahydrobenzo[e]benzimidazole-8-carbonitrile;(5aR,6R,9aS)-2-(3,4-dichlorophenyl)-6,9a-dimethyl-7-oxo-3-phenyl-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carbonitrile;(5aR,6R,9aS)-3-(2-fluorophenyl)-6,9a-dimethyl-7-oxo-2-(4-phenylphenyl)-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carbonitrile;(5aR,6R,9aS)-3-(3-fluorophenyl)-6,9a-dimethyl-7-oxo-2-(3-phenylphenyl)-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carbonitrile;(5aR,6R,9aS)-2-(4-methoxyphenyl)-6,9a-dimethyl-7-oxo-3-phenyl-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carbonitrile is COc1ccc(-n2nc3c(c2-c2ccccc2)CC[C@@H]2[C@@H](C)C(=O)C(C#N)=C[C@@]32C)cc1.C[C@H]1C(=O)C(C#N)=C[C@@]2(C)c3nc(-c4ccncc4)n(-c4ccccc4)c3CC[C@H]12.C[C@H]1C(=O)C(C#N)=C[C@@]2(C)c3nc(C4CCCCC4)n(-c4ccccc4)c3CC[C@H]12.C[C@H]1C(=O)C(C#N)=C[C@@]2(C)c3nn(-c4ccc(-c5ccccc5)cc4)c(-c4ccccc4F)c3CC[C@H]12.C[C@H]1C(=O)C(C#N)=C[C@@]2(C)c3nn(-c4ccc(-c5ccccc5)cc4)c(-c4cccnc4)c3CC[C@H]12.C[C@H]1C(=O)C(C#N)=C[C@@]2(C)c3nn(-c4ccc(-c5ccccc5)cc4)c(-c4ccncc4)c3CC[C@H]12.C[C@H]1C(=O)C(C#N)=C[C@@]2(C)c3nn(-c4ccc(-c5ccccc5)cc4)c(-c4ccncn4)c3CC[C@H]12.C[C@H]1C(=O)C(C#N)=C[C@@]2(C)c3nn(-c4ccc(-c5ccccc5)cc4)c(CC4CCC4)c3CC[C@H]12.C[C@H]1C(=O)C(C#N)=C[C@@]2(C)c3nn(-c4ccc(Cl)c(Cl)c4)c(-c4ccccc4)c3CC[C@H]12.C[C@H]1C(=O)C(C#N)=C[C@@]2(C)c3nn(-c4ccc(Cl)cc4)c(-c4ccccc4)c3CC[C@H]12.C[C@H]1C(=O)C(C#N)=C[C@@]2(C)c3nn(-c4cccc(-c5ccccc5)c4)c(-c4cccc(F)c4)c3CC[C@H]12.C[C@H]1C(=O)C(C#N)=C[C@@]2(C)c3nn(-c4cccc(-c5ccccc5)c4)c(-c4ccncn4)c3CC[C@H]12.C[C@H]1C(=O)C(C#N)=C[C@@]2(C)c3nn(-c4ccccc4)c(-c4ccccc4)c3CC[C@H]12.Cc1ccc(-c2c3c(nn2-c2ccncc2)[C@]2(C)C=C(C#N)C(=O)[C@H](C)[C@H]2CC3)cc1.Cc1ccc(-n2nc3c(c2-c2ccccc2)CC[C@@H]2[C@@H](C)C(=O)C(C#N)=C[C@@]32C)cc1.
What is the InChIKey of (5aR,6R,9aS)-6,9a-dimethyl-2-(4-methylphenyl)-7-oxo-3-phenyl-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carbonitrile;(5aR,6R,9aS)-6,9a-dimethyl-3-(4-methylphenyl)-7-oxo-2-pyridin-4-yl-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carbonitrile;(5aR,6R,9aS)-6,9a-dimethyl-7-oxo-2,3-diphenyl-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carbonitrile;(5aR,6R,9aS)-6,9a-dimethyl-7-oxo-2-(4-phenylphenyl)-3-pyridin-3-yl-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carbonitrile;(5aR,6R,9aS)-6,9a-dimethyl-7-oxo-2-(4-phenylphenyl)-3-pyridin-4-yl-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carbonitrile;(5aR,6R,9aS)-6,9a-dimethyl-7-oxo-2-(3-phenylphenyl)-3-pyrimidin-4-yl-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carbonitrile;(5aR,6R,9aS)-6,9a-dimethyl-7-oxo-2-(4-phenylphenyl)-3-pyrimidin-4-yl-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carbonitrile;(5aR,6R,9aS)-6,9a-dimethyl-7-oxo-3-phenyl-2-pyridin-4-yl-4,5,5a,6-tetrahydrobenzo[e]benzimidazole-8-carbonitrile;(5aR,6R,9aS)-2-(4-chlorophenyl)-6,9a-dimethyl-7-oxo-3-phenyl-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carbonitrile;(5aR,6R,9aS)-3-(cyclobutylmethyl)-6,9a-dimethyl-7-oxo-2-(4-phenylphenyl)-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carbonitrile;(5aR,6R,9aS)-2-cyclohexyl-6,9a-dimethyl-7-oxo-3-phenyl-4,5,5a,6-tetrahydrobenzo[e]benzimidazole-8-carbonitrile;(5aR,6R,9aS)-2-(3,4-dichlorophenyl)-6,9a-dimethyl-7-oxo-3-phenyl-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carbonitrile;(5aR,6R,9aS)-3-(2-fluorophenyl)-6,9a-dimethyl-7-oxo-2-(4-phenylphenyl)-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carbonitrile;(5aR,6R,9aS)-3-(3-fluorophenyl)-6,9a-dimethyl-7-oxo-2-(3-phenylphenyl)-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carbonitrile;(5aR,6R,9aS)-2-(4-methoxyphenyl)-6,9a-dimethyl-7-oxo-3-phenyl-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carbonitrile?
The InChIKey is HQACLBNSMATTDG-NPKJRLTGSA-N. The full InChI is InChI=1S/2C32H26FN3O.2C31H26N4O.C31H31N3O.2C30H25N5O.C27H25N3O2.C27H25N3O.C26H21Cl2N3O.C26H22ClN3O.C26H24N4O.C26H23N3O.C26H29N3O.C25H22N4O/c1-20-28-15-14-27-29(23-11-6-12-25(33)16-23)36(35-31(27)32(28,2)18-24(19-34)30(20)37)26-13-7-10-22(17-26)21-8-4-3-5-9-21;1-20-27-17-16-26-29(25-10-6-7-11-28(25)33)36(35-31(26)32(27,2)18-23(19-34)30(20)37)24-14-12-22(13-15-24)21-8-4-3-5-9-21;1-20-27-15-14-26-28(23-9-6-16-33-19-23)35(34-30(26)31(27,2)17-24(18-32)29(20)36)25-12-10-22(11-13-25)21-7-4-3-5-8-21;1-20-27-13-12-26-28(23-14-16-33-17-15-23)35(34-30(26)31(27,2)18-24(19-32)29(20)36)25-10-8-22(9-11-25)21-6-4-3-5-7-21;1-20-27-16-15-26-28(17-21-7-6-8-21)34(33-30(26)31(27,2)18-24(19-32)29(20)35)25-13-11-23(12-14-25)22-9-4-3-5-10-22;1-19-25-12-11-24-27(26-13-14-32-18-33-26)35(34-29(24)30(25,2)16-22(17-31)28(19)36)23-10-6-9-21(15-23)20-7-4-3-5-8-20;1-19-25-13-12-24-27(26-14-15-32-18-33-26)35(34-29(24)30(25,2)16-22(17-31)28(19)36)23-10-8-21(9-11-23)20-6-4-3-5-7-20;1-17-23-14-13-22-24(18-7-5-4-6-8-18)30(20-9-11-21(32-3)12-10-20)29-26(22)27(23,2)15-19(16-28)25(17)31;1-17-9-11-21(12-10-17)30-24(19-7-5-4-6-8-19)22-13-14-23-18(2)25(31)20(16-28)15-27(23,3)26(22)29-30;1-15-20-10-9-19-23(16-6-4-3-5-7-16)31(18-8-11-21(27)22(28)12-18)30-25(19)26(20,2)13-17(14-29)24(15)32;1-16-22-13-12-21-23(17-6-4-3-5-7-17)30(20-10-8-19(27)9-11-20)29-25(21)26(22,2)14-18(15-28)24(16)31;1-16-4-6-18(7-5-16)23-21-8-9-22-17(2)24(31)19(15-27)14-26(22,3)25(21)29-30(23)20-10-12-28-13-11-20;1-17-22-14-13-21-23(18-9-5-3-6-10-18)29(20-11-7-4-8-12-20)28-25(21)26(22,2)15-19(16-27)24(17)30;1-17-21-13-14-22-24(26(21,2)15-19(16-27)23(17)30)28-25(18-9-5-3-6-10-18)29(22)20-11-7-4-8-12-20;1-16-20-8-9-21-23(25(20,2)14-18(15-26)22(16)30)28-24(17-10-12-27-13-11-17)29(21)19-6-4-3-5-7-19/h3-13,16-18,20,28H,14-15H2,1-2H3;3-15,18,20,27H,16-17H2,1-2H3;3-13,16-17,19-20,27H,14-15H2,1-2H3;3-11,14-18,20,27H,12-13H2,1-2H3;3-5,9-14,18,20-21,27H,6-8,15-17H2,1-2H3;3-10,13-16,18-19,25H,11-12H2,1-2H3;3-11,14-16,18-19,25H,12-13H2,1-2H3;4-12,15,17,23H,13-14H2,1-3H3;4-12,15,18,23H,13-14H2,1-3H3;3-8,11-13,15,20H,9-10H2,1-2H3;3-11,14,16,22H,12-13H2,1-2H3;4-7,10-14,17,22H,8-9H2,1-3H3;3-12,15,17,22H,13-14H2,1-2H3;4,7-8,11-12,15,17-18,21H,3,5-6,9-10,13-14H2,1-2H3;3-7,10-14,16,20H,8-9H2,1-2H3/t20-,28-,32-;20-,27-,32-;3*20-,27-,31-;2*19-,25-,30-;17-,23-,27-;18-,23-,27-;15-,20-,26-;16-,22-,26-;2*17-,22-,26-;17-,21-,26-;16-,20-,25-/m111111111111111/s1.
What are the key properties of (5aR,6R,9aS)-6,9a-dimethyl-2-(4-methylphenyl)-7-oxo-3-phenyl-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carbonitrile;(5aR,6R,9aS)-6,9a-dimethyl-3-(4-methylphenyl)-7-oxo-2-pyridin-4-yl-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carbonitrile;(5aR,6R,9aS)-6,9a-dimethyl-7-oxo-2,3-diphenyl-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carbonitrile;(5aR,6R,9aS)-6,9a-dimethyl-7-oxo-2-(4-phenylphenyl)-3-pyridin-3-yl-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carbonitrile;(5aR,6R,9aS)-6,9a-dimethyl-7-oxo-2-(4-phenylphenyl)-3-pyridin-4-yl-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carbonitrile;(5aR,6R,9aS)-6,9a-dimethyl-7-oxo-2-(3-phenylphenyl)-3-pyrimidin-4-yl-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carbonitrile;(5aR,6R,9aS)-6,9a-dimethyl-7-oxo-2-(4-phenylphenyl)-3-pyrimidin-4-yl-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carbonitrile;(5aR,6R,9aS)-6,9a-dimethyl-7-oxo-3-phenyl-2-pyridin-4-yl-4,5,5a,6-tetrahydrobenzo[e]benzimidazole-8-carbonitrile;(5aR,6R,9aS)-2-(4-chlorophenyl)-6,9a-dimethyl-7-oxo-3-phenyl-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carbonitrile;(5aR,6R,9aS)-3-(cyclobutylmethyl)-6,9a-dimethyl-7-oxo-2-(4-phenylphenyl)-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carbonitrile;(5aR,6R,9aS)-2-cyclohexyl-6,9a-dimethyl-7-oxo-3-phenyl-4,5,5a,6-tetrahydrobenzo[e]benzimidazole-8-carbonitrile;(5aR,6R,9aS)-2-(3,4-dichlorophenyl)-6,9a-dimethyl-7-oxo-3-phenyl-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carbonitrile;(5aR,6R,9aS)-3-(2-fluorophenyl)-6,9a-dimethyl-7-oxo-2-(4-phenylphenyl)-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carbonitrile;(5aR,6R,9aS)-3-(3-fluorophenyl)-6,9a-dimethyl-7-oxo-2-(3-phenylphenyl)-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carbonitrile;(5aR,6R,9aS)-2-(4-methoxyphenyl)-6,9a-dimethyl-7-oxo-3-phenyl-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carbonitrile?
(5aR,6R,9aS)-6,9a-dimethyl-2-(4-methylphenyl)-7-oxo-3-phenyl-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carbonitrile;(5aR,6R,9aS)-6,9a-dimethyl-3-(4-methylphenyl)-7-oxo-2-pyridin-4-yl-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carbonitrile;(5aR,6R,9aS)-6,9a-dimethyl-7-oxo-2,3-diphenyl-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carbonitrile;(5aR,6R,9aS)-6,9a-dimethyl-7-oxo-2-(4-phenylphenyl)-3-pyridin-3-yl-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carbonitrile;(5aR,6R,9aS)-6,9a-dimethyl-7-oxo-2-(4-phenylphenyl)-3-pyridin-4-yl-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carbonitrile;(5aR,6R,9aS)-6,9a-dimethyl-7-oxo-2-(3-phenylphenyl)-3-pyrimidin-4-yl-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carbonitrile;(5aR,6R,9aS)-6,9a-dimethyl-7-oxo-2-(4-phenylphenyl)-3-pyrimidin-4-yl-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carbonitrile;(5aR,6R,9aS)-6,9a-dimethyl-7-oxo-3-phenyl-2-pyridin-4-yl-4,5,5a,6-tetrahydrobenzo[e]benzimidazole-8-carbonitrile;(5aR,6R,9aS)-2-(4-chlorophenyl)-6,9a-dimethyl-7-oxo-3-phenyl-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carbonitrile;(5aR,6R,9aS)-3-(cyclobutylmethyl)-6,9a-dimethyl-7-oxo-2-(4-phenylphenyl)-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carbonitrile;(5aR,6R,9aS)-2-cyclohexyl-6,9a-dimethyl-7-oxo-3-phenyl-4,5,5a,6-tetrahydrobenzo[e]benzimidazole-8-carbonitrile;(5aR,6R,9aS)-2-(3,4-dichlorophenyl)-6,9a-dimethyl-7-oxo-3-phenyl-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carbonitrile;(5aR,6R,9aS)-3-(2-fluorophenyl)-6,9a-dimethyl-7-oxo-2-(4-phenylphenyl)-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carbonitrile;(5aR,6R,9aS)-3-(3-fluorophenyl)-6,9a-dimethyl-7-oxo-2-(3-phenylphenyl)-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carbonitrile;(5aR,6R,9aS)-2-(4-methoxyphenyl)-6,9a-dimethyl-7-oxo-3-phenyl-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carbonitrile has a molecular weight of 6638.40 g/mol, XLogP of 85.17, 39 rotatable bonds, 0 hydrogen bond donors, and 69 hydrogen bond acceptors.
Where does this data come from?
All data for (5aR,6R,9aS)-6,9a-dimethyl-2-(4-methylphenyl)-7-oxo-3-phenyl-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carbonitrile;(5aR,6R,9aS)-6,9a-dimethyl-3-(4-methylphenyl)-7-oxo-2-pyridin-4-yl-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carbonitrile;(5aR,6R,9aS)-6,9a-dimethyl-7-oxo-2,3-diphenyl-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carbonitrile;(5aR,6R,9aS)-6,9a-dimethyl-7-oxo-2-(4-phenylphenyl)-3-pyridin-3-yl-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carbonitrile;(5aR,6R,9aS)-6,9a-dimethyl-7-oxo-2-(4-phenylphenyl)-3-pyridin-4-yl-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carbonitrile;(5aR,6R,9aS)-6,9a-dimethyl-7-oxo-2-(3-phenylphenyl)-3-pyrimidin-4-yl-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carbonitrile;(5aR,6R,9aS)-6,9a-dimethyl-7-oxo-2-(4-phenylphenyl)-3-pyrimidin-4-yl-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carbonitrile;(5aR,6R,9aS)-6,9a-dimethyl-7-oxo-3-phenyl-2-pyridin-4-yl-4,5,5a,6-tetrahydrobenzo[e]benzimidazole-8-carbonitrile;(5aR,6R,9aS)-2-(4-chlorophenyl)-6,9a-dimethyl-7-oxo-3-phenyl-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carbonitrile;(5aR,6R,9aS)-3-(cyclobutylmethyl)-6,9a-dimethyl-7-oxo-2-(4-phenylphenyl)-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carbonitrile;(5aR,6R,9aS)-2-cyclohexyl-6,9a-dimethyl-7-oxo-3-phenyl-4,5,5a,6-tetrahydrobenzo[e]benzimidazole-8-carbonitrile;(5aR,6R,9aS)-2-(3,4-dichlorophenyl)-6,9a-dimethyl-7-oxo-3-phenyl-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carbonitrile;(5aR,6R,9aS)-3-(2-fluorophenyl)-6,9a-dimethyl-7-oxo-2-(4-phenylphenyl)-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carbonitrile;(5aR,6R,9aS)-3-(3-fluorophenyl)-6,9a-dimethyl-7-oxo-2-(3-phenylphenyl)-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carbonitrile;(5aR,6R,9aS)-2-(4-methoxyphenyl)-6,9a-dimethyl-7-oxo-3-phenyl-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carbonitrile is sourced from PubChem (CID 158553627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).