(3aS,6S,6aS,10aR,11aS,11bR)-2-[[3-chloranyl-6-(trifluoromethyl)pyridin-2-yl]-methyl-amino]-6-(4-hydroxyphenyl)-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)-2-[[3-chloranyl-6-(trifluoromethyl)pyridin-2-yl]-methyl-amino]-6-(4-hydroxyphenyl)-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)-2-[[3-chloro-6-(trifluoromethyl)-2-pyridyl]-methyl-amino]-6-(4-hydroxyphenyl)-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)-2-[[3-chloro-6-(trifluoromethyl)-2-pyridinyl]-methylamino]-6-(4-hydroxyphenyl)-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)-2-[[3-chloro-6-(trifluoromethyl)pyridin-2-yl]-methylamino]-6-(4-hydroxyphenyl)-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)-2-[[3-chloro-6-(trifluoromethyl)-2-pyridyl]-methyl-amino]-6-(4-hydroxyphenyl)-6a,9-diphenyl-4,6,10a,11,11a,11b-hexahydro-3aH-naphth[6,7-e]isoindole-1,3,7,10-diquinone Formula: C41H31ClF3N3O5 MolecularWeight: 738.15015

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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=CC=C(C=C6)O)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=CC=C(C=C6)O)C7=CC=CC=C7)C8=CC=CC=C8

InChI

InChI=1S/C41H31ClF3N3O5/c1-47(37-31(42)18-19-32(46-37)41(43,44)45)48-38(52)27-17-16-26-29(34(27)39(48)53)20-30-36(51)28(22-8-4-2-5-9-22)21-33(50)40(30,24-10-6-3-7-11-24)35(26)23-12-14-25(49)15-13-23/h2-16,18-19,21,27,29-30,34-35,49H,17,20H2,1H3/t27-,29+,30-,34-,35-,40-/m0/s1