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

Systemtic Name: 7,8-dimethoxy-3-[[1-(2-phenylsulfanylethyl)piperidin-3-yl]methyl]-2,5-dihydro-1H-3-benzazepin-4-one Openeye Name: 7,8-dimethoxy-3-[[1-(2-phenylsulfanylethyl)-3-piperidyl]methyl]-2,5-dihydro-1H-3-benzazepin-4-one CAS Name: 7,8-dimethoxy-3-[[1-[2-(phenylthio)ethyl]-3-piperidinyl]methyl]-2,5-dihydro-1H-3-benzazepin-4-one IUPAC Name: 7,8-dimethoxy-3-[[1-(2-phenylsulfanylethyl)piperidin-3-yl]methyl]-2,5-dihydro-1H-3-benzazepin-4-one Traditional Name: 7,8-dimethoxy-3-[[1-[2-(phenylthio)ethyl]-3-piperidyl]methyl]-2,5-dihydro-1H-3-benzazepin-4-one Formula: C26H34N2O3S MolecularWeight: 454.62476

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CC(=O)N(CCC2=C1)CC3CCCN(C3)CCSC4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C2CC(=O)N(CCC2=C1)CC3CCCN(C3)CCSC4=CC=CC=C4)OC

InChI

InChI=1S/C26H34N2O3S/c1-30-24-15-21-10-12-28(26(29)17-22(21)16-25(24)31-2)19-20-7-6-11-27(18-20)13-14-32-23-8-4-3-5-9-23/h3-5,8-9,15-16,20H,6-7,10-14,17-19H2,1-2H3