3-(5-methyl-3-oxidanylidene-2-phenyl-1H-pyrazol-4-yl)propanenitrile

Systemtic Name: 3-(5-methyl-3-oxidanylidene-2-phenyl-1H-pyrazol-4-yl)propanenitrile Openeye Name: 3-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)propanenitrile CAS Name: 3-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)propanenitrile IUPAC Name: 3-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)propanenitrile Traditional Name: 3-(5-keto-3-methyl-1-phenyl-3-pyrazolin-4-yl)propionitrile Formula: C13H13N3O MolecularWeight: 227.26182

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13N3O/c1-10-12(8-5-9-14)13(17)16(15-10)11-6-3-2-4-7-11/h2-4,6-7,15H,5,8H2,1H3