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

Systemtic Name: 3-[[1-[3-(1-benzothiophen-2-yl)propyl]piperidin-3-yl]methyl]-7,8-dimethoxy-2,5-dihydro-1H-3-benzazepin-4-one Openeye Name: 3-[[1-[3-(benzothiophen-2-yl)propyl]-3-piperidyl]methyl]-7,8-dimethoxy-2,5-dihydro-1H-3-benzazepin-4-one CAS Name: 3-[[1-[3-(1-benzothiophen-2-yl)propyl]-3-piperidinyl]methyl]-7,8-dimethoxy-2,5-dihydro-1H-3-benzazepin-4-one IUPAC Name: 3-[[1-[3-(1-benzothiophen-2-yl)propyl]piperidin-3-yl]methyl]-7,8-dimethoxy-2,5-dihydro-1H-3-benzazepin-4-one Traditional Name: 3-[[1-[3-(benzothiophen-2-yl)propyl]-3-piperidyl]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)CC3CCCN(C3)CCCC4=CC5=CC=CC=C5S4)OC

Isomeric SMILES

COC1=C(C=C2CC(=O)N(CCC2=C1)CC3CCCN(C3)CCCC4=CC5=CC=CC=C5S4)OC

InChI

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