2-[2-(1,3-benzodioxol-5-yl)ethyl]-7,8-dimethoxy-4-methyl-1,4-dihydroisoquinolin-3-one

Systemtic Name: 2-[2-(1,3-benzodioxol-5-yl)ethyl]-7,8-dimethoxy-4-methyl-1,4-dihydroisoquinolin-3-one Openeye Name: 2-[2-(1,3-benzodioxol-5-yl)ethyl]-7,8-dimethoxy-4-methyl-1,4-dihydroisoquinolin-3-one CAS Name: 2-[2-(1,3-benzodioxol-5-yl)ethyl]-7,8-dimethoxy-4-methyl-1,4-dihydroisoquinolin-3-one IUPAC Name: 2-[2-(1,3-benzodioxol-5-yl)ethyl]-7,8-dimethoxy-4-methyl-1,4-dihydroisoquinolin-3-one Traditional Name: 2-homopiperonyl-7,8-dimethoxy-4-methyl-1,4-dihydroisoquinolin-3-one Formula: C21H23NO5 MolecularWeight: 369.41102

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C2=C(CN(C1=O)CCC3=CC4=C(C=C3)OCO4)C(=C(C=C2)OC)OC

Isomeric SMILES

CC1C2=C(CN(C1=O)CCC3=CC4=C(C=C3)OCO4)C(=C(C=C2)OC)OC

InChI

InChI=1S/C21H23NO5/c1-13-15-5-7-18(24-2)20(25-3)16(15)11-22(21(13)23)9-8-14-4-6-17-19(10-14)27-12-26-17/h4-7,10,13H,8-9,11-12H2,1-3H3