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

Systemtic Name: 3-[[1-[2-(1-benzothiophen-3-yl)ethyl]azepan-3-yl]methyl]-7,8-dimethyl-2,5-dihydro-1H-3-benzazepin-4-one Openeye Name: 3-[[1-[2-(benzothiophen-3-yl)ethyl]azepan-3-yl]methyl]-7,8-dimethyl-2,5-dihydro-1H-3-benzazepin-4-one CAS Name: 3-[[1-[2-(1-benzothiophen-3-yl)ethyl]-3-azepanyl]methyl]-7,8-dimethyl-2,5-dihydro-1H-3-benzazepin-4-one IUPAC Name: 3-[[1-[2-(1-benzothiophen-3-yl)ethyl]azepan-3-yl]methyl]-7,8-dimethyl-2,5-dihydro-1H-3-benzazepin-4-one Traditional Name: 3-[[1-[2-(benzothiophen-3-yl)ethyl]azepan-3-yl]methyl]-7,8-dimethyl-2,5-dihydro-1H-3-benzazepin-4-one Formula: C29H36N2OS MolecularWeight: 460.67394

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2CC(=O)N(CCC2=C1)CC3CCCCN(C3)CCC4=CSC5=CC=CC=C54)C

Isomeric SMILES

CC1=C(C=C2CC(=O)N(CCC2=C1)CC3CCCCN(C3)CCC4=CSC5=CC=CC=C54)C

InChI

InChI=1S/C29H36N2OS/c1-21-15-24-11-14-31(29(32)17-26(24)16-22(21)2)19-23-7-5-6-12-30(18-23)13-10-25-20-33-28-9-4-3-8-27(25)28/h3-4,8-9,15-16,20,23H,5-7,10-14,17-19H2,1-2H3