[4-(4-fluorophenyl)-4-oxidanylidene-butyl] 3,5-dimethyl-1-(phenylmethyl)pyrazole-4-carboxylate

Systemtic Name: [4-(4-fluorophenyl)-4-oxidanylidene-butyl] 3,5-dimethyl-1-(phenylmethyl)pyrazole-4-carboxylate Openeye Name: [4-(4-fluorophenyl)-4-oxo-butyl] 1-benzyl-3,5-dimethyl-pyrazole-4-carboxylate CAS Name: 3,5-dimethyl-1-(phenylmethyl)-4-pyrazolecarboxylic acid [4-(4-fluorophenyl)-4-oxobutyl] ester IUPAC Name: [4-(4-fluorophenyl)-4-oxobutyl] 1-benzyl-3,5-dimethylpyrazole-4-carboxylate Traditional Name: 1-benzyl-3,5-dimethyl-pyrazole-4-carboxylic acid [4-(4-fluorophenyl)-4-keto-butyl] ester Formula: C23H23FN2O3 MolecularWeight: 394.438723

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=CC=C2)C)C(=O)OCCCC(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC=C2)C)C(=O)OCCCC(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C23H23FN2O3/c1-16-22(17(2)26(25-16)15-18-7-4-3-5-8-18)23(28)29-14-6-9-21(27)19-10-12-20(24)13-11-19/h3-5,7-8,10-13H,6,9,14-15H2,1-2H3