(4-chlorophenyl)-(3,3,5-trimethyl-1H-pyrazol-2-yl)methanone

Systemtic Name: (4-chlorophenyl)-(3,3,5-trimethyl-1H-pyrazol-2-yl)methanone Openeye Name: (4-chlorophenyl)-(3,3,5-trimethyl-1H-pyrazol-2-yl)methanone CAS Name: (4-chlorophenyl)-(3,3,5-trimethyl-1H-pyrazol-2-yl)methanone IUPAC Name: (4-chlorophenyl)-(3,3,5-trimethyl-1H-pyrazol-2-yl)methanone Traditional Name: (4-chlorophenyl)-(3,5,5-trimethyl-3-pyrazolin-1-yl)methanone Formula: C13H15ClN2O MolecularWeight: 250.724

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(N(N1)C(=O)C2=CC=C(C=C2)Cl)(C)C

Isomeric SMILES

CC1=CC(N(N1)C(=O)C2=CC=C(C=C2)Cl)(C)C

InChI

InChI=1S/C13H15ClN2O/c1-9-8-13(2,3)16(15-9)12(17)10-4-6-11(14)7-5-10/h4-8,15H,1-3H3