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

Systemtic Name: [1-oxidanylidene-1-[(phenylmethyl)carbamoylamino]propan-2-yl] 3-(4-fluorophenyl)-1H-pyrazole-5-carboxylate Openeye Name: [2-(benzylcarbamoylamino)-1-methyl-2-oxo-ethyl] 3-(4-fluorophenyl)-1H-pyrazole-5-carboxylate CAS Name: 3-(4-fluorophenyl)-1H-pyrazole-5-carboxylic acid [1-oxo-1-[[oxo-[(phenylmethyl)amino]methyl]amino]propan-2-yl] ester IUPAC Name: [1-(benzylcarbamoylamino)-1-oxopropan-2-yl] 3-(4-fluorophenyl)-1H-pyrazole-5-carboxylate Traditional Name: 3-(4-fluorophenyl)-1H-pyrazole-5-carboxylic acid [2-(benzylcarbamoylamino)-2-keto-1-methyl-ethyl] ester Formula: C21H19FN4O4 MolecularWeight: 410.398363

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NCC1=CC=CC=C1)OC(=O)C2=CC(=NN2)C3=CC=C(C=C3)F

Isomeric SMILES

CC(C(=O)NC(=O)NCC1=CC=CC=C1)OC(=O)C2=CC(=NN2)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H19FN4O4/c1-13(19(27)24-21(29)23-12-14-5-3-2-4-6-14)30-20(28)18-11-17(25-26-18)15-7-9-16(22)10-8-15/h2-11,13H,12H2,1H3,(H,25,26)(H2,23,24,27,29)