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

Systemtic Name: 6,7-dimethoxy-2-[[1-[3-(3-methylphenoxy)propyl]azepan-3-yl]methyl]-3,4-dihydroisoquinolin-1-one Openeye Name: 6,7-dimethoxy-2-[[1-[3-(3-methylphenoxy)propyl]azepan-3-yl]methyl]-3,4-dihydroisoquinolin-1-one CAS Name: 6,7-dimethoxy-2-[[1-[3-(3-methylphenoxy)propyl]-3-azepanyl]methyl]-3,4-dihydroisoquinolin-1-one IUPAC Name: 6,7-dimethoxy-2-[[1-[3-(3-methylphenoxy)propyl]azepan-3-yl]methyl]-3,4-dihydroisoquinolin-1-one Traditional Name: 6,7-dimethoxy-2-[[1-[3-(3-methylphenoxy)propyl]azepan-3-yl]methyl]-3,4-dihydroisocarbostyril Formula: C28H38N2O4 MolecularWeight: 466.61232

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCCCN2CCCCC(C2)CN3CCC4=CC(=C(C=C4C3=O)OC)OC

Isomeric SMILES

CC1=CC(=CC=C1)OCCCN2CCCCC(C2)CN3CCC4=CC(=C(C=C4C3=O)OC)OC

InChI

InChI=1S/C28H38N2O4/c1-21-8-6-10-24(16-21)34-15-7-13-29-12-5-4-9-22(19-29)20-30-14-11-23-17-26(32-2)27(33-3)18-25(23)28(30)31/h6,8,10,16-18,22H,4-5,7,9,11-15,19-20H2,1-3H3