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

Systemtic Name: 3-(6-ethyl-1,3-benzodioxol-5-yl)-7,8-dimethoxy-2-methyl-isoquinolin-1-one Openeye Name: 3-(6-ethyl-1,3-benzodioxol-5-yl)-7,8-dimethoxy-2-methyl-isoquinolin-1-one CAS Name: 3-(6-ethyl-1,3-benzodioxol-5-yl)-7,8-dimethoxy-2-methyl-1-isoquinolinone IUPAC Name: 3-(6-ethyl-1,3-benzodioxol-5-yl)-7,8-dimethoxy-2-methylisoquinolin-1-one Traditional Name: 3-(6-ethyl-1,3-benzodioxol-5-yl)-7,8-dimethoxy-2-methyl-isocarbostyril Formula: C21H21NO5 MolecularWeight: 367.39514

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1C3=CC4=C(C(=C(C=C4)OC)OC)C(=O)N3C)OCO2

Isomeric SMILES

CCC1=CC2=C(C=C1C3=CC4=C(C(=C(C=C4)OC)OC)C(=O)N3C)OCO2

InChI

InChI=1S/C21H21NO5/c1-5-12-9-17-18(27-11-26-17)10-14(12)15-8-13-6-7-16(24-3)20(25-4)19(13)21(23)22(15)2/h6-10H,5,11H2,1-4H3