2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)ethanenitrile

Systemtic Name: 2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)ethanenitrile Openeye Name: 2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)acetonitrile CAS Name: 2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)acetonitrile IUPAC Name: 2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)acetonitrile Traditional Name: 2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)acetonitrile Formula: C13H14N2O2 MolecularWeight: 230.26246

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)CCN=C2CC#N)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)CCN=C2CC#N)OC

InChI

InChI=1S/C13H14N2O2/c1-16-12-7-9-4-6-15-11(3-5-14)10(9)8-13(12)17-2/h7-8H,3-4,6H2,1-2H3