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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC(=O)N1CCC#N)C2=CC=CC=C2

Isomeric SMILES

CN1C(=CC(=O)N1CCC#N)C2=CC=CC=C2

InChI

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