[2-[(4-aminocarbonylphenyl)amino]-2-oxidanylidene-ethyl] 3-(2,4-dimethylphenyl)-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: [2-[(4-aminocarbonylphenyl)amino]-2-oxidanylidene-ethyl] 3-(2,4-dimethylphenyl)-1-phenyl-pyrazole-4-carboxylate Openeye Name: [2-(4-carbamoylanilino)-2-oxo-ethyl] 3-(2,4-dimethylphenyl)-1-phenyl-pyrazole-4-carboxylate CAS Name: 3-(2,4-dimethylphenyl)-1-phenyl-4-pyrazolecarboxylic acid [2-(4-carbamoylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-carbamoylanilino)-2-oxoethyl] 3-(2,4-dimethylphenyl)-1-phenylpyrazole-4-carboxylate Traditional Name: 3-(2,4-dimethylphenyl)-1-phenyl-pyrazole-4-carboxylic acid [2-(4-carbamoylanilino)-2-keto-ethyl] ester Formula: C27H24N4O4 MolecularWeight: 468.50386

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C2=NN(C=C2C(=O)OCC(=O)NC3=CC=C(C=C3)C(=O)N)C4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=C(C=C1)C2=NN(C=C2C(=O)OCC(=O)NC3=CC=C(C=C3)C(=O)N)C4=CC=CC=C4)C

InChI

InChI=1S/C27H24N4O4/c1-17-8-13-22(18(2)14-17)25-23(15-31(30-25)21-6-4-3-5-7-21)27(34)35-16-24(32)29-20-11-9-19(10-12-20)26(28)33/h3-15H,16H2,1-2H3,(H2,28,33)(H,29,32)