[1-[(2,5-dimethylphenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(4-fluorophenyl)-1H-pyrazole-5-carboxylate

Systemtic Name: [1-[(2,5-dimethylphenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(4-fluorophenyl)-1H-pyrazole-5-carboxylate Openeye Name: [2-(2,5-dimethylanilino)-1-methyl-2-oxo-ethyl] 3-(4-fluorophenyl)-1H-pyrazole-5-carboxylate CAS Name: 3-(4-fluorophenyl)-1H-pyrazole-5-carboxylic acid [1-(2,5-dimethylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2,5-dimethylanilino)-1-oxopropan-2-yl] 3-(4-fluorophenyl)-1H-pyrazole-5-carboxylate Traditional Name: 3-(4-fluorophenyl)-1H-pyrazole-5-carboxylic acid [2-(2,5-dimethylanilino)-2-keto-1-methyl-ethyl] ester Formula: C21H20FN3O3 MolecularWeight: 381.400203

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=O)C(C)OC(=O)C2=CC(=NN2)C3=CC=C(C=C3)F

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=O)C(C)OC(=O)C2=CC(=NN2)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H20FN3O3/c1-12-4-5-13(2)17(10-12)23-20(26)14(3)28-21(27)19-11-18(24-25-19)15-6-8-16(22)9-7-15/h4-11,14H,1-3H3,(H,23,26)(H,24,25)