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

Systemtic Name: 4-[(2,5-dimethyl-3-oxidanylidene-1H-pyrazol-4-yl)methyl]benzenecarbonitrile Openeye Name: 4-[(2,5-dimethyl-3-oxo-1H-pyrazol-4-yl)methyl]benzonitrile CAS Name: 4-[(2,5-dimethyl-3-oxo-1H-pyrazol-4-yl)methyl]benzonitrile IUPAC Name: 4-[(2,5-dimethyl-3-oxo-1H-pyrazol-4-yl)methyl]benzonitrile Traditional Name: 4-[(5-keto-1,3-dimethyl-3-pyrazolin-4-yl)methyl]benzonitrile Formula: C13H13N3O MolecularWeight: 227.26182

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1)C)CC2=CC=C(C=C2)C#N

Isomeric SMILES

CC1=C(C(=O)N(N1)C)CC2=CC=C(C=C2)C#N

InChI

InChI=1S/C13H13N3O/c1-9-12(13(17)16(2)15-9)7-10-3-5-11(8-14)6-4-10/h3-6,15H,7H2,1-2H3