6,7-dimethoxy-2-[[1-(2-naphthalen-1-ylethyl)azepan-3-yl]methyl]-3,4-dihydroisoquinolin-1-one

Systemtic Name: 6,7-dimethoxy-2-[[1-(2-naphthalen-1-ylethyl)azepan-3-yl]methyl]-3,4-dihydroisoquinolin-1-one Openeye Name: 6,7-dimethoxy-2-[[1-[2-(1-naphthyl)ethyl]azepan-3-yl]methyl]-3,4-dihydroisoquinolin-1-one CAS Name: 6,7-dimethoxy-2-[[1-[2-(1-naphthalenyl)ethyl]-3-azepanyl]methyl]-3,4-dihydroisoquinolin-1-one IUPAC Name: 6,7-dimethoxy-2-[[1-(2-naphthalen-1-ylethyl)azepan-3-yl]methyl]-3,4-dihydroisoquinolin-1-one Traditional Name: 6,7-dimethoxy-2-[[1-[2-(1-naphthyl)ethyl]azepan-3-yl]methyl]-3,4-dihydroisocarbostyril Formula: C30H36N2O3 MolecularWeight: 472.61844

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)CCN(C2=O)CC3CCCCN(C3)CCC4=CC=CC5=CC=CC=C54)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)CCN(C2=O)CC3CCCCN(C3)CCC4=CC=CC5=CC=CC=C54)OC

InChI

InChI=1S/C30H36N2O3/c1-34-28-18-25-14-17-32(30(33)27(25)19-29(28)35-2)21-22-8-5-6-15-31(20-22)16-13-24-11-7-10-23-9-3-4-12-26(23)24/h3-4,7,9-12,18-19,22H,5-6,8,13-17,20-21H2,1-2H3