4-(1-oxidanylidene-2H-isoquinolin-3-yl)butanenitrile

Systemtic Name: 4-(1-oxidanylidene-2H-isoquinolin-3-yl)butanenitrile Openeye Name: 4-(1-oxo-2H-isoquinolin-3-yl)butanenitrile CAS Name: 4-(1-oxo-2H-isoquinolin-3-yl)butanenitrile IUPAC Name: 4-(1-oxo-2H-isoquinolin-3-yl)butanenitrile Traditional Name: 4-(1-keto-2H-isoquinolin-3-yl)butyronitrile Formula: C13H12N2O MolecularWeight: 212.24718

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(NC2=O)CCCC#N

Isomeric SMILES

C1=CC=C2C(=C1)C=C(NC2=O)CCCC#N

InChI

InChI=1S/C13H12N2O/c14-8-4-3-6-11-9-10-5-1-2-7-12(10)13(16)15-11/h1-2,5,7,9H,3-4,6H2,(H,15,16)