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

Systemtic Name: 6,7-dimethoxy-2-[[1-[3-(4-methoxyphenoxy)propyl]azepan-3-yl]methyl]-3,4-dihydroisoquinolin-1-one Openeye Name: 6,7-dimethoxy-2-[[1-[3-(4-methoxyphenoxy)propyl]azepan-3-yl]methyl]-3,4-dihydroisoquinolin-1-one CAS Name: 6,7-dimethoxy-2-[[1-[3-(4-methoxyphenoxy)propyl]-3-azepanyl]methyl]-3,4-dihydroisoquinolin-1-one IUPAC Name: 6,7-dimethoxy-2-[[1-[3-(4-methoxyphenoxy)propyl]azepan-3-yl]methyl]-3,4-dihydroisoquinolin-1-one Traditional Name: 6,7-dimethoxy-2-[[1-[3-(4-methoxyphenoxy)propyl]azepan-3-yl]methyl]-3,4-dihydroisocarbostyril Formula: C28H38N2O5 MolecularWeight: 482.61172

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OCCCN2CCCCC(C2)CN3CCC4=CC(=C(C=C4C3=O)OC)OC

Isomeric SMILES

COC1=CC=C(C=C1)OCCCN2CCCCC(C2)CN3CCC4=CC(=C(C=C4C3=O)OC)OC

InChI

InChI=1S/C28H38N2O5/c1-32-23-8-10-24(11-9-23)35-16-6-14-29-13-5-4-7-21(19-29)20-30-15-12-22-17-26(33-2)27(34-3)18-25(22)28(30)31/h8-11,17-18,21H,4-7,12-16,19-20H2,1-3H3