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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2C(=O)N1)C3=CC=CC(=C3)C#N

Isomeric SMILES

CC1=C(C2=CC=CC=C2C(=O)N1)C3=CC=CC(=C3)C#N

InChI

InChI=1S/C17H12N2O/c1-11-16(13-6-4-5-12(9-13)10-18)14-7-2-3-8-15(14)17(20)19-11/h2-9H,1H3,(H,19,20)