[1-(4-fluorophenyl)-1-oxidanylidene-propan-2-yl] 5-chloranyl-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxylate

Systemtic Name: [1-(4-fluorophenyl)-1-oxidanylidene-propan-2-yl] 5-chloranyl-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxylate Openeye Name: [2-(4-fluorophenyl)-1-methyl-2-oxo-ethyl] 5-chloro-3-methyl-1-(p-tolylmethyl)pyrazole-4-carboxylate CAS Name: 5-chloro-3-methyl-1-[(4-methylphenyl)methyl]-4-pyrazolecarboxylic acid [1-(4-fluorophenyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-fluorophenyl)-1-oxopropan-2-yl] 5-chloro-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxylate Traditional Name: 5-chloro-3-methyl-1-(4-methylbenzyl)pyrazole-4-carboxylic acid [2-(4-fluorophenyl)-2-keto-1-methyl-ethyl] ester Formula: C22H20ClFN2O3 MolecularWeight: 414.857203

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20ClFN2O3/c1-13-4-6-16(7-5-13)12-26-21(23)19(14(2)25-26)22(28)29-15(3)20(27)17-8-10-18(24)11-9-17/h4-11,15H,12H2,1-3H3