6,7-dimethyl-2-[[1-(3-naphthalen-1-yl-2-oxidanyl-propyl)azepan-3-yl]methyl]-3,4-dihydroisoquinolin-1-one hydrochloride

Systemtic Name: 6,7-dimethyl-2-[[1-(3-naphthalen-1-yl-2-oxidanyl-propyl)azepan-3-yl]methyl]-3,4-dihydroisoquinolin-1-one hydrochloride Openeye Name: 2-[[1-[2-hydroxy-3-(1-naphthyl)propyl]azepan-3-yl]methyl]-6,7-dimethyl-3,4-dihydroisoquinolin-1-one hydrochloride CAS Name: 2-[[1-[2-hydroxy-3-(1-naphthalenyl)propyl]-3-azepanyl]methyl]-6,7-dimethyl-3,4-dihydroisoquinolin-1-one hydrochloride IUPAC Name: 2-[[1-(2-hydroxy-3-naphthalen-1-ylpropyl)azepan-3-yl]methyl]-6,7-dimethyl-3,4-dihydroisoquinolin-1-one hydrochloride Traditional Name: 2-[[1-[2-hydroxy-3-(1-naphthyl)propyl]azepan-3-yl]methyl]-6,7-dimethyl-3,4-dihydroisocarbostyril hydrochloride Formula: C31H39ClN2O2 MolecularWeight: 507.10656

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)CCN(C2=O)CC3CCCCN(C3)CC(CC4=CC=CC5=CC=CC=C54)O)C.Cl

Isomeric SMILES

CC1=C(C=C2C(=C1)CCN(C2=O)CC3CCCCN(C3)CC(CC4=CC=CC5=CC=CC=C54)O)C.Cl

InChI

InChI=1S/C31H38N2O2.ClH/c1-22-16-27-13-15-33(31(35)30(27)17-23(22)2)20-24-8-5-6-14-32(19-24)21-28(34)18-26-11-7-10-25-9-3-4-12-29(25)26;/h3-4,7,9-12,16-17,24,28,34H,5-6,8,13-15,18-21H2,1-2H3;1H