1-(4-chlorophenyl)-3-[3-(2,2-dimethylpropanoylamino)phenyl]-5-methyl-pyrazole-4-carboxylic acid

Systemtic Name: 1-(4-chlorophenyl)-3-[3-(2,2-dimethylpropanoylamino)phenyl]-5-methyl-pyrazole-4-carboxylic acid Openeye Name: 1-(4-chlorophenyl)-3-[3-(2,2-dimethylpropanoylamino)phenyl]-5-methyl-pyrazole-4-carboxylic acid CAS Name: 1-(4-chlorophenyl)-3-[3-[(2,2-dimethyl-1-oxopropyl)amino]phenyl]-5-methyl-4-pyrazolecarboxylic acid IUPAC Name: 1-(4-chlorophenyl)-3-[3-(2,2-dimethylpropanoylamino)phenyl]-5-methylpyrazole-4-carboxylic acid Traditional Name: 1-(4-chlorophenyl)-5-methyl-3-[3-(pivaloylamino)phenyl]pyrazole-4-carboxylic acid Formula: C22H22ClN3O3 MolecularWeight: 411.88138

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=C(C=C2)Cl)C3=CC(=CC=C3)NC(=O)C(C)(C)C)C(=O)O

Isomeric SMILES

CC1=C(C(=NN1C2=CC=C(C=C2)Cl)C3=CC(=CC=C3)NC(=O)C(C)(C)C)C(=O)O

InChI

InChI=1S/C22H22ClN3O3/c1-13-18(20(27)28)19(25-26(13)17-10-8-15(23)9-11-17)14-6-5-7-16(12-14)24-21(29)22(2,3)4/h5-12H,1-4H3,(H,24,29)(H,27,28)