2-[6,7-dimethoxy-1-(3-methoxyphenyl)carbonyl-isoquinolin-4-yl]ethanenitrile

Systemtic Name: 2-[6,7-dimethoxy-1-(3-methoxyphenyl)carbonyl-isoquinolin-4-yl]ethanenitrile Openeye Name: 2-[6,7-dimethoxy-1-(3-methoxybenzoyl)-4-isoquinolyl]acetonitrile CAS Name: 2-[6,7-dimethoxy-1-[(3-methoxyphenyl)-oxomethyl]-4-isoquinolinyl]acetonitrile IUPAC Name: 2-[6,7-dimethoxy-1-(3-methoxybenzoyl)isoquinolin-4-yl]acetonitrile Traditional Name: 2-(1-m-anisoyl-6,7-dimethoxy-4-isoquinolyl)acetonitrile Formula: C21H18N2O4 MolecularWeight: 362.37862

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)C2=NC=C(C3=CC(=C(C=C32)OC)OC)CC#N

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)C2=NC=C(C3=CC(=C(C=C32)OC)OC)CC#N

InChI

InChI=1S/C21H18N2O4/c1-25-15-6-4-5-13(9-15)21(24)20-17-11-19(27-3)18(26-2)10-16(17)14(7-8-22)12-23-20/h4-6,9-12H,7H2,1-3H3