4-[(1-oxidanylideneisoquinolin-2-yl)methyl]benzenecarbonitrile

Systemtic Name: 4-[(1-oxidanylideneisoquinolin-2-yl)methyl]benzenecarbonitrile Openeye Name: 4-[(1-oxo-2-isoquinolyl)methyl]benzonitrile CAS Name: 4-[(1-oxo-2-isoquinolinyl)methyl]benzonitrile IUPAC Name: 4-[(1-oxoisoquinolin-2-yl)methyl]benzonitrile Traditional Name: 4-[(1-keto-2-isoquinolyl)methyl]benzonitrile Formula: C17H12N2O MolecularWeight: 260.28998

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CN(C2=O)CC3=CC=C(C=C3)C#N

Isomeric SMILES

C1=CC=C2C(=C1)C=CN(C2=O)CC3=CC=C(C=C3)C#N

InChI

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