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

Systemtic Name: (3aS,6S,6aS,10aR,11aS,11bR)-6-(2-chloranyl-4-oxidanyl-phenyl)-2-[[3-chloranyl-6-(trifluoromethyl)pyridin-2-yl]-methyl-amino]-6a,9-diphenyl-4,6,10a,11,11a,11b-hexahydro-3aH-naphtho[6,7-e]isoindole-1,3,7,10-tetrone Openeye Name: (3aS,6S,6aS,10aR,11aS,11bR)-6-(2-chloro-4-hydroxy-phenyl)-2-[[3-chloro-6-(trifluoromethyl)-2-pyridyl]-methyl-amino]-6a,9-diphenyl-4,6,10a,11,11a,11b-hexahydro-3aH-naphtho[6,7-e]isoindole-1,3,7,10-tetrone CAS Name: (3aS,6S,6aS,10aR,11aS,11bR)-6-(2-chloro-4-hydroxyphenyl)-2-[[3-chloro-6-(trifluoromethyl)-2-pyridinyl]-methylamino]-6a,9-diphenyl-4,6,10a,11,11a,11b-hexahydro-3aH-naphtho[6,7-e]isoindole-1,3,7,10-tetrone IUPAC Name: (3aS,6S,6aS,10aR,11aS,11bR)-6-(2-chloro-4-hydroxyphenyl)-2-[[3-chloro-6-(trifluoromethyl)pyridin-2-yl]-methylamino]-6a,9-diphenyl-4,6,10a,11,11a,11b-hexahydro-3aH-naphtho[6,7-e]isoindole-1,3,7,10-tetrone Traditional Name: (3aS,6S,6aS,10aR,11aS,11bR)-6-(2-chloro-4-hydroxy-phenyl)-2-[[3-chloro-6-(trifluoromethyl)-2-pyridyl]-methyl-amino]-6a,9-diphenyl-4,6,10a,11,11a,11b-hexahydro-3aH-naphth[6,7-e]isoindole-1,3,7,10-diquinone Formula: C41H30Cl2F3N3O5 MolecularWeight: 772.59521

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=C(C=CC(=N1)C(F)(F)F)Cl)N2C(=O)C3CC=C4C(C3C2=O)CC5C(=O)C(=CC(=O)C5(C4C6=C(C=C(C=C6)O)Cl)C7=CC=CC=C7)C8=CC=CC=C8

Isomeric SMILES

CN(C1=C(C=CC(=N1)C(F)(F)F)Cl)N2C(=O)[C@H]3CC=C4[C@H]([C@H]3C2=O)C[C@H]5C(=O)C(=CC(=O)[C@]5([C@H]4C6=C(C=C(C=C6)O)Cl)C7=CC=CC=C7)C8=CC=CC=C8

InChI

InChI=1S/C41H30Cl2F3N3O5/c1-48(37-30(42)16-17-32(47-37)41(44,45)46)49-38(53)26-15-14-24-28(34(26)39(49)54)19-29-36(52)27(21-8-4-2-5-9-21)20-33(51)40(29,22-10-6-3-7-11-22)35(24)25-13-12-23(50)18-31(25)43/h2-14,16-18,20,26,28-29,34-35,50H,15,19H2,1H3/t26-,28+,29-,34-,35+,40-/m0/s1