[2-(ethylcarbamoylamino)-2-oxidanylidene-ethyl] 3-(4-fluorophenyl)-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: [2-(ethylcarbamoylamino)-2-oxidanylidene-ethyl] 3-(4-fluorophenyl)-1-phenyl-pyrazole-4-carboxylate Openeye Name: [2-(ethylcarbamoylamino)-2-oxo-ethyl] 3-(4-fluorophenyl)-1-phenyl-pyrazole-4-carboxylate CAS Name: 3-(4-fluorophenyl)-1-phenyl-4-pyrazolecarboxylic acid [2-(ethylcarbamoylamino)-2-oxoethyl] ester IUPAC Name: [2-(ethylcarbamoylamino)-2-oxoethyl] 3-(4-fluorophenyl)-1-phenylpyrazole-4-carboxylate Traditional Name: 3-(4-fluorophenyl)-1-phenyl-pyrazole-4-carboxylic acid [2-(ethylcarbamoylamino)-2-keto-ethyl] ester Formula: C21H19FN4O4 MolecularWeight: 410.398363

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)NC(=O)COC(=O)C1=CN(N=C1C2=CC=C(C=C2)F)C3=CC=CC=C3

Isomeric SMILES

CCNC(=O)NC(=O)COC(=O)C1=CN(N=C1C2=CC=C(C=C2)F)C3=CC=CC=C3

InChI

InChI=1S/C21H19FN4O4/c1-2-23-21(29)24-18(27)13-30-20(28)17-12-26(16-6-4-3-5-7-16)25-19(17)14-8-10-15(22)11-9-14/h3-12H,2,13H2,1H3,(H2,23,24,27,29)