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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2C=C1)CC3C(CCCCN3)CN4CCC5=CC(=C(C=C5C4=O)OC)OC

Isomeric SMILES

CC1=C(C2=CC=CC=C2C=C1)CC3C(CCCCN3)CN4CCC5=CC(=C(C=C5C4=O)OC)OC

InChI

InChI=1S/C30H36N2O3/c1-20-11-12-21-8-4-5-10-24(21)25(20)17-27-23(9-6-7-14-31-27)19-32-15-13-22-16-28(34-2)29(35-3)18-26(22)30(32)33/h4-5,8,10-12,16,18,23,27,31H,6-7,9,13-15,17,19H2,1-3H3