2-(6-methoxyisoquinolin-4-yl)ethanenitrile

Systemtic Name: 2-(6-methoxyisoquinolin-4-yl)ethanenitrile Openeye Name: 2-(6-methoxy-4-isoquinolyl)acetonitrile CAS Name: 2-(6-methoxy-4-isoquinolinyl)acetonitrile IUPAC Name: 2-(6-methoxyisoquinolin-4-yl)acetonitrile Traditional Name: 2-(6-methoxy-4-isoquinolyl)acetonitrile Formula: C12H10N2O MolecularWeight: 198.2206

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=NC=C2C=C1)CC#N

Isomeric SMILES

COC1=CC2=C(C=NC=C2C=C1)CC#N

InChI

InChI=1S/C12H10N2O/c1-15-11-3-2-9-7-14-8-10(4-5-13)12(9)6-11/h2-3,6-8H,4H2,1H3