3-(5-oxidanylidene-3-propan-2-yl-4H-pyrazol-1-yl)benzenecarbonitrile

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NN(C(=O)C1)C2=CC=CC(=C2)C#N

Isomeric SMILES

CC(C)C1=NN(C(=O)C1)C2=CC=CC(=C2)C#N

InChI

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