4-[(3-oxidanylidene-4,5-diphenyl-1H-pyrazol-2-yl)methyl]benzenecarbonitrile

Systemtic Name: 4-[(3-oxidanylidene-4,5-diphenyl-1H-pyrazol-2-yl)methyl]benzenecarbonitrile Openeye Name: 4-[(3-oxo-4,5-diphenyl-1H-pyrazol-2-yl)methyl]benzonitrile CAS Name: 4-[(3-oxo-4,5-diphenyl-1H-pyrazol-2-yl)methyl]benzonitrile IUPAC Name: 4-[(3-oxo-4,5-diphenyl-1H-pyrazol-2-yl)methyl]benzonitrile Traditional Name: 4-[(5-keto-3,4-diphenyl-3-pyrazolin-1-yl)methyl]benzonitrile Formula: C23H17N3O MolecularWeight: 351.40058

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(NN(C2=O)CC3=CC=C(C=C3)C#N)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C2=C(NN(C2=O)CC3=CC=C(C=C3)C#N)C4=CC=CC=C4

InChI

InChI=1S/C23H17N3O/c24-15-17-11-13-18(14-12-17)16-26-23(27)21(19-7-3-1-4-8-19)22(25-26)20-9-5-2-6-10-20/h1-14,25H,16H2