3-[(4R)-3-methyl-5-oxidanylidene-1-phenyl-4H-pyrazol-4-yl]propanenitrile

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1CCC#N)C2=CC=CC=C2

Isomeric SMILES

CC1=NN(C(=O)[C@@H]1CCC#N)C2=CC=CC=C2

InChI

InChI=1S/C13H13N3O/c1-10-12(8-5-9-14)13(17)16(15-10)11-6-3-2-4-7-11/h2-4,6-7,12H,5,8H2,1H3/t12-/m1/s1