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

Systemtic Name: 6,7-dimethoxy-2-[[1-[2-(4-methoxyphenyl)ethyl]azepan-3-yl]methyl]-3,4-dihydroisoquinolin-1-one Openeye Name: 6,7-dimethoxy-2-[[1-[2-(4-methoxyphenyl)ethyl]azepan-3-yl]methyl]-3,4-dihydroisoquinolin-1-one CAS Name: 6,7-dimethoxy-2-[[1-[2-(4-methoxyphenyl)ethyl]-3-azepanyl]methyl]-3,4-dihydroisoquinolin-1-one IUPAC Name: 6,7-dimethoxy-2-[[1-[2-(4-methoxyphenyl)ethyl]azepan-3-yl]methyl]-3,4-dihydroisoquinolin-1-one Traditional Name: 6,7-dimethoxy-2-[[1-[2-(4-methoxyphenyl)ethyl]azepan-3-yl]methyl]-3,4-dihydroisocarbostyril Formula: C27H36N2O4 MolecularWeight: 452.58574

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCN2CCCCC(C2)CN3CCC4=CC(=C(C=C4C3=O)OC)OC

Isomeric SMILES

COC1=CC=C(C=C1)CCN2CCCCC(C2)CN3CCC4=CC(=C(C=C4C3=O)OC)OC

InChI

InChI=1S/C27H36N2O4/c1-31-23-9-7-20(8-10-23)11-14-28-13-5-4-6-21(18-28)19-29-15-12-22-16-25(32-2)26(33-3)17-24(22)27(29)30/h7-10,16-17,21H,4-6,11-15,18-19H2,1-3H3