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

Systemtic Name: 3-[[1-[2-(1-benzothiophen-3-yl)ethyl]azepan-3-yl]methyl]-7,8-dimethoxy-2,5-dihydro-1H-3-benzazepin-4-one Openeye Name: 3-[[1-[2-(benzothiophen-3-yl)ethyl]azepan-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-azepanyl]methyl]-7,8-dimethoxy-2,5-dihydro-1H-3-benzazepin-4-one IUPAC Name: 3-[[1-[2-(1-benzothiophen-3-yl)ethyl]azepan-3-yl]methyl]-7,8-dimethoxy-2,5-dihydro-1H-3-benzazepin-4-one Traditional Name: 3-[[1-[2-(benzothiophen-3-yl)ethyl]azepan-3-yl]methyl]-7,8-dimethoxy-2,5-dihydro-1H-3-benzazepin-4-one Formula: C29H36N2O3S MolecularWeight: 492.67274

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CC(=O)N(CCC2=C1)CC3CCCCN(C3)CCC4=CSC5=CC=CC=C54)OC

Isomeric SMILES

COC1=C(C=C2CC(=O)N(CCC2=C1)CC3CCCCN(C3)CCC4=CSC5=CC=CC=C54)OC

InChI

InChI=1S/C29H36N2O3S/c1-33-26-15-22-11-14-31(29(32)17-24(22)16-27(26)34-2)19-21-7-5-6-12-30(18-21)13-10-23-20-35-28-9-4-3-8-25(23)28/h3-4,8-9,15-16,20-21H,5-7,10-14,17-19H2,1-2H3