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

Systemtic Name: 7,8-dimethoxy-3-[[1-(2-thiophen-2-ylethyl)azepan-3-yl]methyl]-2,5-dihydro-1H-3-benzazepin-4-one Openeye Name: 7,8-dimethoxy-3-[[1-[2-(2-thienyl)ethyl]azepan-3-yl]methyl]-2,5-dihydro-1H-3-benzazepin-4-one CAS Name: 7,8-dimethoxy-3-[[1-(2-thiophen-2-ylethyl)-3-azepanyl]methyl]-2,5-dihydro-1H-3-benzazepin-4-one IUPAC Name: 7,8-dimethoxy-3-[[1-(2-thiophen-2-ylethyl)azepan-3-yl]methyl]-2,5-dihydro-1H-3-benzazepin-4-one Traditional Name: 7,8-dimethoxy-3-[[1-[2-(2-thienyl)ethyl]azepan-3-yl]methyl]-2,5-dihydro-1H-3-benzazepin-4-one Formula: C25H34N2O3S MolecularWeight: 442.61406

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CC(=O)N(CCC2=C1)CC3CCCCN(C3)CCC4=CC=CS4)OC

Isomeric SMILES

COC1=C(C=C2CC(=O)N(CCC2=C1)CC3CCCCN(C3)CCC4=CC=CS4)OC

InChI

InChI=1S/C25H34N2O3S/c1-29-23-14-20-8-12-27(25(28)16-21(20)15-24(23)30-2)18-19-6-3-4-10-26(17-19)11-9-22-7-5-13-31-22/h5,7,13-15,19H,3-4,6,8-12,16-18H2,1-2H3