[2-(aminocarbonylamino)-2-oxidanylidene-ethyl] 3-(3,4-dimethylphenyl)-1-(phenylmethyl)pyrazole-4-carboxylate

Systemtic Name: [2-(aminocarbonylamino)-2-oxidanylidene-ethyl] 3-(3,4-dimethylphenyl)-1-(phenylmethyl)pyrazole-4-carboxylate Openeye Name: (2-oxo-2-ureido-ethyl) 1-benzyl-3-(3,4-dimethylphenyl)pyrazole-4-carboxylate CAS Name: 3-(3,4-dimethylphenyl)-1-(phenylmethyl)-4-pyrazolecarboxylic acid [2-(carbamoylamino)-2-oxoethyl] ester IUPAC Name: [2-(carbamoylamino)-2-oxoethyl] 1-benzyl-3-(3,4-dimethylphenyl)pyrazole-4-carboxylate Traditional Name: 1-benzyl-3-(3,4-dimethylphenyl)pyrazole-4-carboxylic acid (2-keto-2-ureido-ethyl) ester Formula: C22H22N4O4 MolecularWeight: 406.43448

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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