4-(3-oxidanylidene-2,4-dihydro-1H-isoquinolin-1-yl)benzenecarbonitrile

Systemtic Name: 4-(3-oxidanylidene-2,4-dihydro-1H-isoquinolin-1-yl)benzenecarbonitrile Openeye Name: 4-(3-oxo-2,4-dihydro-1H-isoquinolin-1-yl)benzonitrile CAS Name: 4-(3-oxo-2,4-dihydro-1H-isoquinolin-1-yl)benzonitrile IUPAC Name: 4-(3-oxo-2,4-dihydro-1H-isoquinolin-1-yl)benzonitrile Traditional Name: 4-(3-keto-2,4-dihydro-1H-isoquinolin-1-yl)benzonitrile Formula: C16H12N2O MolecularWeight: 248.27928

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2C(NC1=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

C1C2=CC=CC=C2C(NC1=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C16H12N2O/c17-10-11-5-7-12(8-6-11)16-14-4-2-1-3-13(14)9-15(19)18-16/h1-8,16H,9H2,(H,18,19)