(4-ethanoylphenyl) 5-chloranyl-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxylate

Systemtic Name: (4-ethanoylphenyl) 5-chloranyl-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxylate Openeye Name: (4-acetylphenyl) 5-chloro-3-methyl-1-(p-tolylmethyl)pyrazole-4-carboxylate CAS Name: 5-chloro-3-methyl-1-[(4-methylphenyl)methyl]-4-pyrazolecarboxylic acid (4-acetylphenyl) ester IUPAC Name: (4-acetylphenyl) 5-chloro-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxylate Traditional Name: 5-chloro-3-methyl-1-(4-methylbenzyl)pyrazole-4-carboxylic acid (4-acetylphenyl) ester Formula: C21H19ClN2O3 MolecularWeight: 382.84016

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C(=C(C(=N2)C)C(=O)OC3=CC=C(C=C3)C(=O)C)Cl

Isomeric SMILES

CC1=CC=C(C=C1)CN2C(=C(C(=N2)C)C(=O)OC3=CC=C(C=C3)C(=O)C)Cl

InChI

InChI=1S/C21H19ClN2O3/c1-13-4-6-16(7-5-13)12-24-20(22)19(14(2)23-24)21(26)27-18-10-8-17(9-11-18)15(3)25/h4-11H,12H2,1-3H3