(3aS,6R,6aS,10aR,11aS,11bR)-2-[[3-chloranyl-6-(trifluoromethyl)pyridin-2-yl]-methyl-amino]-6-(3,5-dimethyl-4-oxidanyl-phenyl)-6a,9-diphenyl-4,6,10a,11,11a,11b-hexahydro-3aH-naphtho[6,7-e]isoindole-1,3,7,10-tetrone

Systemtic Name: (3aS,6R,6aS,10aR,11aS,11bR)-2-[[3-chloranyl-6-(trifluoromethyl)pyridin-2-yl]-methyl-amino]-6-(3,5-dimethyl-4-oxidanyl-phenyl)-6a,9-diphenyl-4,6,10a,11,11a,11b-hexahydro-3aH-naphtho[6,7-e]isoindole-1,3,7,10-tetrone Openeye Name: (3aS,6R,6aS,10aR,11aS,11bR)-2-[[3-chloro-6-(trifluoromethyl)-2-pyridyl]-methyl-amino]-6-(4-hydroxy-3,5-dimethyl-phenyl)-6a,9-diphenyl-4,6,10a,11,11a,11b-hexahydro-3aH-naphtho[6,7-e]isoindole-1,3,7,10-tetrone CAS Name: (3aS,6R,6aS,10aR,11aS,11bR)-2-[[3-chloro-6-(trifluoromethyl)-2-pyridinyl]-methylamino]-6-(4-hydroxy-3,5-dimethylphenyl)-6a,9-diphenyl-4,6,10a,11,11a,11b-hexahydro-3aH-naphtho[6,7-e]isoindole-1,3,7,10-tetrone IUPAC Name: (3aS,6R,6aS,10aR,11aS,11bR)-2-[[3-chloro-6-(trifluoromethyl)pyridin-2-yl]-methylamino]-6-(4-hydroxy-3,5-dimethylphenyl)-6a,9-diphenyl-4,6,10a,11,11a,11b-hexahydro-3aH-naphtho[6,7-e]isoindole-1,3,7,10-tetrone Traditional Name: (3aS,6R,6aS,10aR,11aS,11bR)-2-[[3-chloro-6-(trifluoromethyl)-2-pyridyl]-methyl-amino]-6-(4-hydroxy-3,5-dimethyl-phenyl)-6a,9-diphenyl-4,6,10a,11,11a,11b-hexahydro-3aH-naphth[6,7-e]isoindole-1,3,7,10-diquinone Formula: C43H35ClF3N3O5 MolecularWeight: 766.20331

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1O)C)C2C3=CCC4C(C3CC5C2(C(=O)C=C(C5=O)C6=CC=CC=C6)C7=CC=CC=C7)C(=O)N(C4=O)N(C)C8=C(C=CC(=N8)C(F)(F)F)Cl

Isomeric SMILES

CC1=CC(=CC(=C1O)C)[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3C[C@@H]5[C@]2(C(=O)C=C(C5=O)C6=CC=CC=C6)C7=CC=CC=C7)C(=O)N(C4=O)N(C)C8=C(C=CC(=N8)C(F)(F)F)Cl

InChI

InChI=1S/C43H35ClF3N3O5/c1-22-18-25(19-23(2)37(22)52)36-27-14-15-28-35(41(55)50(40(28)54)49(3)39-32(44)16-17-33(48-39)43(45,46)47)30(27)20-31-38(53)29(24-10-6-4-7-11-24)21-34(51)42(31,36)26-12-8-5-9-13-26/h4-14,16-19,21,28,30-31,35-36,52H,15,20H2,1-3H3/t28-,30+,31-,35-,36-,42-/m0/s1