3-[(1-oxidanylidene-2H-isoquinolin-4-yl)methyl]benzenecarbonitrile

Systemtic Name: 3-[(1-oxidanylidene-2H-isoquinolin-4-yl)methyl]benzenecarbonitrile Openeye Name: 3-[(1-oxo-2H-isoquinolin-4-yl)methyl]benzonitrile CAS Name: 3-[(1-oxo-2H-isoquinolin-4-yl)methyl]benzonitrile IUPAC Name: 3-[(1-oxo-2H-isoquinolin-4-yl)methyl]benzonitrile Traditional Name: 3-[(1-keto-2H-isoquinolin-4-yl)methyl]benzonitrile Formula: C17H12N2O MolecularWeight: 260.28998

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CNC2=O)CC3=CC=CC(=C3)C#N

Isomeric SMILES

C1=CC=C2C(=C1)C(=CNC2=O)CC3=CC=CC(=C3)C#N

InChI

InChI=1S/C17H12N2O/c18-10-13-5-3-4-12(8-13)9-14-11-19-17(20)16-7-2-1-6-15(14)16/h1-8,11H,9H2,(H,19,20)