4-isoquinolin-1-yl-2-methyl-4-oxidanylidene-butanenitrile

Systemtic Name: 4-isoquinolin-1-yl-2-methyl-4-oxidanylidene-butanenitrile Openeye Name: 4-(1-isoquinolyl)-2-methyl-4-oxo-butanenitrile CAS Name: 4-(1-isoquinolinyl)-2-methyl-4-oxobutanenitrile IUPAC Name: 4-isoquinolin-1-yl-2-methyl-4-oxobutanenitrile Traditional Name: 4-(1-isoquinolyl)-4-keto-2-methyl-butyronitrile Formula: C14H12N2O MolecularWeight: 224.25788

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)C1=NC=CC2=CC=CC=C21)C#N

Isomeric SMILES

CC(CC(=O)C1=NC=CC2=CC=CC=C21)C#N

InChI

InChI=1S/C14H12N2O/c1-10(9-15)8-13(17)14-12-5-3-2-4-11(12)6-7-16-14/h2-7,10H,8H2,1H3