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

Systemtic Name: [1-[(4-aminocarbonylphenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(4-fluorophenyl)-1H-pyrazole-5-carboxylate Openeye Name: [2-(4-carbamoylanilino)-1-methyl-2-oxo-ethyl] 3-(4-fluorophenyl)-1H-pyrazole-5-carboxylate CAS Name: 3-(4-fluorophenyl)-1H-pyrazole-5-carboxylic acid [1-(4-carbamoylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-carbamoylanilino)-1-oxopropan-2-yl] 3-(4-fluorophenyl)-1H-pyrazole-5-carboxylate Traditional Name: 3-(4-fluorophenyl)-1H-pyrazole-5-carboxylic acid [2-(4-carbamoylanilino)-2-keto-1-methyl-ethyl] ester Formula: C20H17FN4O4 MolecularWeight: 396.371783

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C(=O)N)OC(=O)C2=CC(=NN2)C3=CC=C(C=C3)F

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)C(=O)N)OC(=O)C2=CC(=NN2)C3=CC=C(C=C3)F

InChI

InChI=1S/C20H17FN4O4/c1-11(19(27)23-15-8-4-13(5-9-15)18(22)26)29-20(28)17-10-16(24-25-17)12-2-6-14(21)7-3-12/h2-11H,1H3,(H2,22,26)(H,23,27)(H,24,25)