[4-(4-fluorophenyl)-4-oxidanylidene-butyl] 5-chloranyl-3-methyl-1-(phenylmethyl)pyrazole-4-carboxylate

Systemtic Name: [4-(4-fluorophenyl)-4-oxidanylidene-butyl] 5-chloranyl-3-methyl-1-(phenylmethyl)pyrazole-4-carboxylate Openeye Name: [4-(4-fluorophenyl)-4-oxo-butyl] 1-benzyl-5-chloro-3-methyl-pyrazole-4-carboxylate CAS Name: 5-chloro-3-methyl-1-(phenylmethyl)-4-pyrazolecarboxylic acid [4-(4-fluorophenyl)-4-oxobutyl] ester IUPAC Name: [4-(4-fluorophenyl)-4-oxobutyl] 1-benzyl-5-chloro-3-methylpyrazole-4-carboxylate Traditional Name: 1-benzyl-5-chloro-3-methyl-pyrazole-4-carboxylic acid [4-(4-fluorophenyl)-4-keto-butyl] ester Formula: C22H20ClFN2O3 MolecularWeight: 414.857203

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)OCCCC(=O)C2=CC=C(C=C2)F)Cl)CC3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1C(=O)OCCCC(=O)C2=CC=C(C=C2)F)Cl)CC3=CC=CC=C3

InChI

InChI=1S/C22H20ClFN2O3/c1-15-20(21(23)26(25-15)14-16-6-3-2-4-7-16)22(28)29-13-5-8-19(27)17-9-11-18(24)12-10-17/h2-4,6-7,9-12H,5,8,13-14H2,1H3