3-(1,3-benzodioxol-5-yl)-4-(2-hydroxyethyl)-6,7-dimethoxy-2-methyl-isoquinolin-1-one

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-4-(2-hydroxyethyl)-6,7-dimethoxy-2-methyl-isoquinolin-1-one Openeye Name: 3-(1,3-benzodioxol-5-yl)-4-(2-hydroxyethyl)-6,7-dimethoxy-2-methyl-isoquinolin-1-one CAS Name: 3-(1,3-benzodioxol-5-yl)-4-(2-hydroxyethyl)-6,7-dimethoxy-2-methyl-1-isoquinolinone IUPAC Name: 3-(1,3-benzodioxol-5-yl)-4-(2-hydroxyethyl)-6,7-dimethoxy-2-methylisoquinolin-1-one Traditional Name: 3-(1,3-benzodioxol-5-yl)-4-(2-hydroxyethyl)-6,7-dimethoxy-2-methyl-isocarbostyril Formula: C21H21NO6 MolecularWeight: 383.39454

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C2=CC(=C(C=C2C1=O)OC)OC)CCO)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CN1C(=C(C2=CC(=C(C=C2C1=O)OC)OC)CCO)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H21NO6/c1-22-20(12-4-5-16-19(8-12)28-11-27-16)13(6-7-23)14-9-17(25-2)18(26-3)10-15(14)21(22)24/h4-5,8-10,23H,6-7,11H2,1-3H3