(9S,10S,11aS)-10-[(4-methoxyphenyl)amino]-9-oxidanyl-7,8,9,10,11,11a-hexahydroazepino[1,2-b]isoindol-5-one

Systemtic Name: (9S,10S,11aS)-10-[(4-methoxyphenyl)amino]-9-oxidanyl-7,8,9,10,11,11a-hexahydroazepino[1,2-b]isoindol-5-one Openeye Name: (9S,10S,11aS)-9-hydroxy-10-(4-methoxyanilino)-7,8,9,10,11,11a-hexahydroazepino[1,2-b]isoindol-5-one CAS Name: (9S,10S,11aS)-9-hydroxy-10-(4-methoxyanilino)-7,8,9,10,11,11a-hexahydroazepino[1,2-b]isoindol-5-one IUPAC Name: (9S,10S,11aS)-9-hydroxy-10-(4-methoxyanilino)-7,8,9,10,11,11a-hexahydroazepino[1,2-b]isoindol-5-one Traditional Name: (9S,10S,11aS)-9-hydroxy-10-(p-anisidino)-7,8,9,10,11,11a-hexahydroazepin[1,2-b]isoindol-5-one Formula: C20H22N2O3 MolecularWeight: 338.40028

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC2CC3C4=CC=CC=C4C(=O)N3CCC2O

Isomeric SMILES

COC1=CC=C(C=C1)N[C@H]2C[C@H]3C4=CC=CC=C4C(=O)N3CC[C@@H]2O

InChI

InChI=1S/C20H22N2O3/c1-25-14-8-6-13(7-9-14)21-17-12-18-15-4-2-3-5-16(15)20(24)22(18)11-10-19(17)23/h2-9,17-19,21,23H,10-12H2,1H3/t17-,18-,19-/m0/s1