[2-oxidanylidene-2-[(2-phenylphenyl)amino]ethyl] 5-chloranyl-3-methyl-1-(phenylmethyl)pyrazole-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-[(2-phenylphenyl)amino]ethyl] 5-chloranyl-3-methyl-1-(phenylmethyl)pyrazole-4-carboxylate Openeye Name: [2-oxo-2-(2-phenylanilino)ethyl] 1-benzyl-5-chloro-3-methyl-pyrazole-4-carboxylate CAS Name: 5-chloro-3-methyl-1-(phenylmethyl)-4-pyrazolecarboxylic acid [2-oxo-2-(2-phenylanilino)ethyl] ester IUPAC Name: [2-oxo-2-(2-phenylanilino)ethyl] 1-benzyl-5-chloro-3-methylpyrazole-4-carboxylate Traditional Name: 1-benzyl-5-chloro-3-methyl-pyrazole-4-carboxylic acid [2-keto-2-(2-phenylanilino)ethyl] ester Formula: C26H22ClN3O3 MolecularWeight: 459.92418

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)OCC(=O)NC2=CC=CC=C2C3=CC=CC=C3)Cl)CC4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1C(=O)OCC(=O)NC2=CC=CC=C2C3=CC=CC=C3)Cl)CC4=CC=CC=C4

InChI

InChI=1S/C26H22ClN3O3/c1-18-24(25(27)30(29-18)16-19-10-4-2-5-11-19)26(32)33-17-23(31)28-22-15-9-8-14-21(22)20-12-6-3-7-13-20/h2-15H,16-17H2,1H3,(H,28,31)