(3aS,6R,6aS,10aR,11aS,11bR)-6-(3-methyl-4-oxidanyl-phenyl)-6a,9-diphenyl-2-(4-phenylazanylphenyl)-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)-6-(3-methyl-4-oxidanyl-phenyl)-6a,9-diphenyl-2-(4-phenylazanylphenyl)-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-(4-anilinophenyl)-6-(4-hydroxy-3-methyl-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-(4-anilinophenyl)-6-(4-hydroxy-3-methylphenyl)-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-(4-anilinophenyl)-6-(4-hydroxy-3-methylphenyl)-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-(4-anilinophenyl)-6-(4-hydroxy-3-methyl-phenyl)-6a,9-diphenyl-4,6,10a,11,11a,11b-hexahydro-3aH-naphth[6,7-e]isoindole-1,3,7,10-diquinone Formula: C47H38N2O5 MolecularWeight: 710.81502

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2C3=CCC4C(C3CC5C2(C(=O)C=C(C5=O)C6=CC=CC=C6)C7=CC=CC=C7)C(=O)N(C4=O)C8=CC=C(C=C8)NC9=CC=CC=C9)O

Isomeric SMILES

CC1=C(C=CC(=C1)[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)C8=CC=C(C=C8)NC9=CC=CC=C9)O

InChI

InChI=1S/C47H38N2O5/c1-28-25-30(17-24-40(28)50)43-35-22-23-36-42(46(54)49(45(36)53)34-20-18-33(19-21-34)48-32-15-9-4-10-16-32)38(35)26-39-44(52)37(29-11-5-2-6-12-29)27-41(51)47(39,43)31-13-7-3-8-14-31/h2-22,24-25,27,36,38-39,42-43,48,50H,23,26H2,1H3/t36-,38+,39-,42-,43-,47-/m0/s1