[1-oxidanylidene-1-[(phenylmethyl)carbamoylamino]propan-2-yl] 5-chloranyl-3-methyl-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: [1-oxidanylidene-1-[(phenylmethyl)carbamoylamino]propan-2-yl] 5-chloranyl-3-methyl-1-phenyl-pyrazole-4-carboxylate Openeye Name: [2-(benzylcarbamoylamino)-1-methyl-2-oxo-ethyl] 5-chloro-3-methyl-1-phenyl-pyrazole-4-carboxylate CAS Name: 5-chloro-3-methyl-1-phenyl-4-pyrazolecarboxylic acid [1-oxo-1-[[oxo-[(phenylmethyl)amino]methyl]amino]propan-2-yl] ester IUPAC Name: [1-(benzylcarbamoylamino)-1-oxopropan-2-yl] 5-chloro-3-methyl-1-phenylpyrazole-4-carboxylate Traditional Name: 5-chloro-3-methyl-1-phenyl-pyrazole-4-carboxylic acid [2-(benzylcarbamoylamino)-2-keto-1-methyl-ethyl] ester Formula: C22H21ClN4O4 MolecularWeight: 440.87954

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)OC(C)C(=O)NC(=O)NCC2=CC=CC=C2)Cl)C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1C(=O)OC(C)C(=O)NC(=O)NCC2=CC=CC=C2)Cl)C3=CC=CC=C3

InChI

InChI=1S/C22H21ClN4O4/c1-14-18(19(23)27(26-14)17-11-7-4-8-12-17)21(29)31-15(2)20(28)25-22(30)24-13-16-9-5-3-6-10-16/h3-12,15H,13H2,1-2H3,(H2,24,25,28,30)