1-(azepan-1-yl)-2-(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone

Systemtic Name: 1-(azepan-1-yl)-2-(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone Openeye Name: 1-(azepan-1-yl)-2-(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone CAS Name: 1-(1-azepanyl)-2-(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone IUPAC Name: 1-(azepan-1-yl)-2-(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone Traditional Name: 1-(azepan-1-yl)-2-(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone Formula: C25H32N2O3 MolecularWeight: 408.53318

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(N(CCC2=C1)CC(=O)N3CCCCCC3)C4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C2C(N(CCC2=C1)CC(=O)N3CCCCCC3)C4=CC=CC=C4)OC

InChI

InChI=1S/C25H32N2O3/c1-29-22-16-20-12-15-27(18-24(28)26-13-8-3-4-9-14-26)25(19-10-6-5-7-11-19)21(20)17-23(22)30-2/h5-7,10-11,16-17,25H,3-4,8-9,12-15,18H2,1-2H3