3-[[1-[2-(1-benzothiophen-3-yl)ethyl]pyrrolidin-3-yl]methyl]-7,8-dimethoxy-2,5-dihydro-1H-3-benzazepin-4-one

Systemtic Name: 3-[[1-[2-(1-benzothiophen-3-yl)ethyl]pyrrolidin-3-yl]methyl]-7,8-dimethoxy-2,5-dihydro-1H-3-benzazepin-4-one Openeye Name: 3-[[1-[2-(benzothiophen-3-yl)ethyl]pyrrolidin-3-yl]methyl]-7,8-dimethoxy-2,5-dihydro-1H-3-benzazepin-4-one CAS Name: 3-[[1-[2-(1-benzothiophen-3-yl)ethyl]-3-pyrrolidinyl]methyl]-7,8-dimethoxy-2,5-dihydro-1H-3-benzazepin-4-one IUPAC Name: 3-[[1-[2-(1-benzothiophen-3-yl)ethyl]pyrrolidin-3-yl]methyl]-7,8-dimethoxy-2,5-dihydro-1H-3-benzazepin-4-one Traditional Name: 3-[[1-[2-(benzothiophen-3-yl)ethyl]pyrrolidin-3-yl]methyl]-7,8-dimethoxy-2,5-dihydro-1H-3-benzazepin-4-one Formula: C27H32N2O3S MolecularWeight: 464.61958

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CC(=O)N(CCC2=C1)CC3CCN(C3)CCC4=CSC5=CC=CC=C54)OC

Isomeric SMILES

COC1=C(C=C2CC(=O)N(CCC2=C1)CC3CCN(C3)CCC4=CSC5=CC=CC=C54)OC

InChI

InChI=1S/C27H32N2O3S/c1-31-24-13-20-9-12-29(27(30)15-22(20)14-25(24)32-2)17-19-7-10-28(16-19)11-8-21-18-33-26-6-4-3-5-23(21)26/h3-6,13-14,18-19H,7-12,15-17H2,1-2H3