[2-oxidanylidene-2-(propylcarbamoylamino)ethyl] 5-chloranyl-1-(4-fluorophenyl)-3-methyl-pyrazole-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-(propylcarbamoylamino)ethyl] 5-chloranyl-1-(4-fluorophenyl)-3-methyl-pyrazole-4-carboxylate Openeye Name: [2-oxo-2-(propylcarbamoylamino)ethyl] 5-chloro-1-(4-fluorophenyl)-3-methyl-pyrazole-4-carboxylate CAS Name: 5-chloro-1-(4-fluorophenyl)-3-methyl-4-pyrazolecarboxylic acid [2-oxo-2-[[oxo(propylamino)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(propylcarbamoylamino)ethyl] 5-chloro-1-(4-fluorophenyl)-3-methylpyrazole-4-carboxylate Traditional Name: 5-chloro-1-(4-fluorophenyl)-3-methyl-pyrazole-4-carboxylic acid [2-keto-2-(propylcarbamoylamino)ethyl] ester Formula: C17H18ClFN4O4 MolecularWeight: 396.800623

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)NC(=O)COC(=O)C1=C(N(N=C1C)C2=CC=C(C=C2)F)Cl

Isomeric SMILES

CCCNC(=O)NC(=O)COC(=O)C1=C(N(N=C1C)C2=CC=C(C=C2)F)Cl

InChI

InChI=1S/C17H18ClFN4O4/c1-3-8-20-17(26)21-13(24)9-27-16(25)14-10(2)22-23(15(14)18)12-6-4-11(19)5-7-12/h4-7H,3,8-9H2,1-2H3,(H2,20,21,24,26)