[1-[(4-aminocarbonylphenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(4-methoxyphenyl)-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: [1-[(4-aminocarbonylphenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(4-methoxyphenyl)-1-phenyl-pyrazole-4-carboxylate Openeye Name: [2-(4-carbamoylanilino)-1-methyl-2-oxo-ethyl] 3-(4-methoxyphenyl)-1-phenyl-pyrazole-4-carboxylate CAS Name: 3-(4-methoxyphenyl)-1-phenyl-4-pyrazolecarboxylic acid [1-(4-carbamoylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-carbamoylanilino)-1-oxopropan-2-yl] 3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxylate Traditional Name: 3-(4-methoxyphenyl)-1-phenyl-pyrazole-4-carboxylic acid [2-(4-carbamoylanilino)-2-keto-1-methyl-ethyl] ester Formula: C27H24N4O5 MolecularWeight: 484.50326

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C(=O)N)OC(=O)C2=CN(N=C2C3=CC=C(C=C3)OC)C4=CC=CC=C4

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)C(=O)N)OC(=O)C2=CN(N=C2C3=CC=C(C=C3)OC)C4=CC=CC=C4

InChI

InChI=1S/C27H24N4O5/c1-17(26(33)29-20-12-8-19(9-13-20)25(28)32)36-27(34)23-16-31(21-6-4-3-5-7-21)30-24(23)18-10-14-22(35-2)15-11-18/h3-17H,1-2H3,(H2,28,32)(H,29,33)