3-[6-(hydroxymethyl)-1,3-benzodioxol-5-yl]-7,8-dimethoxy-2-methyl-isoquinolin-1-one

Systemtic Name: 3-[6-(hydroxymethyl)-1,3-benzodioxol-5-yl]-7,8-dimethoxy-2-methyl-isoquinolin-1-one Openeye Name: 3-[6-(hydroxymethyl)-1,3-benzodioxol-5-yl]-7,8-dimethoxy-2-methyl-isoquinolin-1-one CAS Name: 3-[6-(hydroxymethyl)-1,3-benzodioxol-5-yl]-7,8-dimethoxy-2-methyl-1-isoquinolinone IUPAC Name: 3-[6-(hydroxymethyl)-1,3-benzodioxol-5-yl]-7,8-dimethoxy-2-methylisoquinolin-1-one Traditional Name: 7,8-dimethoxy-2-methyl-3-(6-methylol-1,3-benzodioxol-5-yl)isocarbostyril Formula: C20H19NO6 MolecularWeight: 369.36796

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC2=C(C1=O)C(=C(C=C2)OC)OC)C3=CC4=C(C=C3CO)OCO4

Isomeric SMILES

CN1C(=CC2=C(C1=O)C(=C(C=C2)OC)OC)C3=CC4=C(C=C3CO)OCO4

InChI

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