[2-oxidanylidene-2-[(phenylmethyl)carbamoylamino]ethyl] 5-methyl-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-[(phenylmethyl)carbamoylamino]ethyl] 5-methyl-1-phenyl-pyrazole-4-carboxylate Openeye Name: [2-(benzylcarbamoylamino)-2-oxo-ethyl] 5-methyl-1-phenyl-pyrazole-4-carboxylate CAS Name: 5-methyl-1-phenyl-4-pyrazolecarboxylic acid [2-oxo-2-[[oxo-[(phenylmethyl)amino]methyl]amino]ethyl] ester IUPAC Name: [2-(benzylcarbamoylamino)-2-oxoethyl] 5-methyl-1-phenylpyrazole-4-carboxylate Traditional Name: 5-methyl-1-phenyl-pyrazole-4-carboxylic acid [2-(benzylcarbamoylamino)-2-keto-ethyl] ester Formula: C21H20N4O4 MolecularWeight: 392.4079

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=CC=CC=C2)C(=O)OCC(=O)NC(=O)NCC3=CC=CC=C3

Isomeric SMILES

CC1=C(C=NN1C2=CC=CC=C2)C(=O)OCC(=O)NC(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C21H20N4O4/c1-15-18(13-23-25(15)17-10-6-3-7-11-17)20(27)29-14-19(26)24-21(28)22-12-16-8-4-2-5-9-16/h2-11,13H,12,14H2,1H3,(H2,22,24,26,28)