(3aS,6S,6aS,10aR,11aS,11bR)-6-(2-chloranyl-4-oxidanyl-phenyl)-6a,9-diphenyl-2-[1-(phenylmethyl)piperidin-4-yl]-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)-6a,9-diphenyl-2-[1-(phenylmethyl)piperidin-4-yl]-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-(1-benzyl-4-piperidyl)-6-(2-chloro-4-hydroxy-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,6S,6aS,10aR,11aS,11bR)-6-(2-chloro-4-hydroxyphenyl)-6a,9-diphenyl-2-[1-(phenylmethyl)-4-piperidinyl]-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-(1-benzylpiperidin-4-yl)-6-(2-chloro-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-(1-benzyl-4-piperidyl)-6-(2-chloro-4-hydroxy-phenyl)-6a,9-diphenyl-4,6,10a,11,11a,11b-hexahydro-3aH-naphth[6,7-e]isoindole-1,3,7,10-diquinone Formula: C46H41ClN2O5 MolecularWeight: 737.28114

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2C(=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)CC9=CC=CC=C9

Isomeric SMILES

C1CN(CCC1N2C(=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)CC9=CC=CC=C9

InChI

InChI=1S/C46H41ClN2O5/c47-39-24-32(50)16-17-34(39)42-33-18-19-35-41(45(54)49(44(35)53)31-20-22-48(23-21-31)27-28-10-4-1-5-11-28)37(33)25-38-43(52)36(29-12-6-2-7-13-29)26-40(51)46(38,42)30-14-8-3-9-15-30/h1-18,24,26,31,35,37-38,41-42,50H,19-23,25,27H2/t35-,37+,38-,41-,42+,46-/m0/s1