4-[2-(1,3-benzodioxol-5-yl)ethyl]-6,7-dimethoxy-4H-isoquinoline-1,3-dione

Systemtic Name: 4-[2-(1,3-benzodioxol-5-yl)ethyl]-6,7-dimethoxy-4H-isoquinoline-1,3-dione Openeye Name: 4-[2-(1,3-benzodioxol-5-yl)ethyl]-6,7-dimethoxy-4H-isoquinoline-1,3-dione CAS Name: 4-[2-(1,3-benzodioxol-5-yl)ethyl]-6,7-dimethoxy-4H-isoquinoline-1,3-dione IUPAC Name: 4-[2-(1,3-benzodioxol-5-yl)ethyl]-6,7-dimethoxy-4H-isoquinoline-1,3-dione Traditional Name: 4-homopiperonyl-6,7-dimethoxy-4H-isoquinoline-1,3-quinone Formula: C20H19NO6 MolecularWeight: 369.36796

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(C(=O)NC2=O)CCC3=CC4=C(C=C3)OCO4)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(C(=O)NC2=O)CCC3=CC4=C(C=C3)OCO4)OC

InChI

InChI=1S/C20H19NO6/c1-24-16-8-13-12(19(22)21-20(23)14(13)9-17(16)25-2)5-3-11-4-6-15-18(7-11)27-10-26-15/h4,6-9,12H,3,5,10H2,1-2H3,(H,21,22,23)