2-[2-(1,3-benzodioxol-5-ylcarbonyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]ethanenitrile

Systemtic Name: 2-[2-(1,3-benzodioxol-5-ylcarbonyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]ethanenitrile Openeye Name: 2-[2-(1,3-benzodioxole-5-carbonyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]acetonitrile CAS Name: 2-[2-[1,3-benzodioxol-5-yl(oxo)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]acetonitrile IUPAC Name: 2-[2-(1,3-benzodioxole-5-carbonyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]acetonitrile Traditional Name: 2-(6,7-dimethoxy-2-piperonyloyl-3,4-dihydro-1H-isoquinolin-1-yl)acetonitrile Formula: C21H20N2O5 MolecularWeight: 380.3939

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(N(CCC2=C1)C(=O)C3=CC4=C(C=C3)OCO4)CC#N)OC

Isomeric SMILES

COC1=C(C=C2C(N(CCC2=C1)C(=O)C3=CC4=C(C=C3)OCO4)CC#N)OC

InChI

InChI=1S/C21H20N2O5/c1-25-18-9-13-6-8-23(16(5-7-22)15(13)11-19(18)26-2)21(24)14-3-4-17-20(10-14)28-12-27-17/h3-4,9-11,16H,5-6,8,12H2,1-2H3