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

Systemtic Name: 6,7-dimethyl-2-[[1-(4-naphthalen-1-yl-2-oxidanyl-butyl)azepan-3-yl]methyl]-3,4-dihydroisoquinolin-1-one Openeye Name: 2-[[1-[2-hydroxy-4-(1-naphthyl)butyl]azepan-3-yl]methyl]-6,7-dimethyl-3,4-dihydroisoquinolin-1-one CAS Name: 2-[[1-[2-hydroxy-4-(1-naphthalenyl)butyl]-3-azepanyl]methyl]-6,7-dimethyl-3,4-dihydroisoquinolin-1-one IUPAC Name: 2-[[1-(2-hydroxy-4-naphthalen-1-ylbutyl)azepan-3-yl]methyl]-6,7-dimethyl-3,4-dihydroisoquinolin-1-one Traditional Name: 2-[[1-[2-hydroxy-4-(1-naphthyl)butyl]azepan-3-yl]methyl]-6,7-dimethyl-3,4-dihydroisocarbostyril Formula: C32H40N2O2 MolecularWeight: 484.6722

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)CCN(C2=O)CC3CCCCN(C3)CC(CCC4=CC=CC5=CC=CC=C54)O)C

Isomeric SMILES

CC1=C(C=C2C(=C1)CCN(C2=O)CC3CCCCN(C3)CC(CCC4=CC=CC5=CC=CC=C54)O)C

InChI

InChI=1S/C32H40N2O2/c1-23-18-28-15-17-34(32(36)31(28)19-24(23)2)21-25-8-5-6-16-33(20-25)22-29(35)14-13-27-11-7-10-26-9-3-4-12-30(26)27/h3-4,7,9-12,18-19,25,29,35H,5-6,8,13-17,20-22H2,1-2H3