3-(5-oxidanylidene-3-phenyl-4H-pyrazol-1-yl)benzenecarbonitrile

Systemtic Name: 3-(5-oxidanylidene-3-phenyl-4H-pyrazol-1-yl)benzenecarbonitrile Openeye Name: 3-(5-oxo-3-phenyl-4H-pyrazol-1-yl)benzonitrile CAS Name: 3-(5-oxo-3-phenyl-4H-pyrazol-1-yl)benzonitrile IUPAC Name: 3-(5-oxo-3-phenyl-4H-pyrazol-1-yl)benzonitrile Traditional Name: 3-(5-keto-3-phenyl-2-pyrazolin-1-yl)benzonitrile Formula: C16H11N3O MolecularWeight: 261.27804

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=NN(C1=O)C2=CC=CC(=C2)C#N)C3=CC=CC=C3

Isomeric SMILES

C1C(=NN(C1=O)C2=CC=CC(=C2)C#N)C3=CC=CC=C3

InChI

InChI=1S/C16H11N3O/c17-11-12-5-4-8-14(9-12)19-16(20)10-15(18-19)13-6-2-1-3-7-13/h1-9H,10H2