phenyl-(3,5,5-trimethyl-4H-pyrazol-1-yl)methanone

Systemtic Name: phenyl-(3,5,5-trimethyl-4H-pyrazol-1-yl)methanone Openeye Name: phenyl-(3,5,5-trimethyl-4H-pyrazol-1-yl)methanone CAS Name: phenyl-(3,5,5-trimethyl-4H-pyrazol-1-yl)methanone IUPAC Name: phenyl-(3,5,5-trimethyl-4H-pyrazol-1-yl)methanone Traditional Name: phenyl-(3,5,5-trimethyl-2-pyrazolin-1-yl)methanone Formula: C13H16N2O MolecularWeight: 216.27894

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(C1)(C)C)C(=O)C2=CC=CC=C2

Isomeric SMILES

CC1=NN(C(C1)(C)C)C(=O)C2=CC=CC=C2

InChI

InChI=1S/C13H16N2O/c1-10-9-13(2,3)15(14-10)12(16)11-7-5-4-6-8-11/h4-8H,9H2,1-3H3