[2-(methylcarbamoylamino)-2-oxidanylidene-ethyl] 3-(4-methylphenyl)-1-(phenylmethyl)pyrazole-4-carboxylate

Systemtic Name: [2-(methylcarbamoylamino)-2-oxidanylidene-ethyl] 3-(4-methylphenyl)-1-(phenylmethyl)pyrazole-4-carboxylate Openeye Name: [2-(methylcarbamoylamino)-2-oxo-ethyl] 1-benzyl-3-(p-tolyl)pyrazole-4-carboxylate CAS Name: 3-(4-methylphenyl)-1-(phenylmethyl)-4-pyrazolecarboxylic acid [2-(methylcarbamoylamino)-2-oxoethyl] ester IUPAC Name: [2-(methylcarbamoylamino)-2-oxoethyl] 1-benzyl-3-(4-methylphenyl)pyrazole-4-carboxylate Traditional Name: 1-benzyl-3-(p-tolyl)pyrazole-4-carboxylic acid [2-keto-2-(methylcarbamoylamino)ethyl] ester Formula: C22H22N4O4 MolecularWeight: 406.43448

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C=C2C(=O)OCC(=O)NC(=O)NC)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C=C2C(=O)OCC(=O)NC(=O)NC)CC3=CC=CC=C3

InChI

InChI=1S/C22H22N4O4/c1-15-8-10-17(11-9-15)20-18(21(28)30-14-19(27)24-22(29)23-2)13-26(25-20)12-16-6-4-3-5-7-16/h3-11,13H,12,14H2,1-2H3,(H2,23,24,27,29)