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

Systemtic Name: [2-(4-benzamidophenyl)-2-oxidanylidene-ethyl] 5-chloranyl-3-methyl-1-(phenylmethyl)pyrazole-4-carboxylate Openeye Name: [2-(4-benzamidophenyl)-2-oxo-ethyl] 1-benzyl-5-chloro-3-methyl-pyrazole-4-carboxylate CAS Name: 5-chloro-3-methyl-1-(phenylmethyl)-4-pyrazolecarboxylic acid [2-(4-benzamidophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-benzamidophenyl)-2-oxoethyl] 1-benzyl-5-chloro-3-methylpyrazole-4-carboxylate Traditional Name: 1-benzyl-5-chloro-3-methyl-pyrazole-4-carboxylic acid [2-(4-benzamidophenyl)-2-keto-ethyl] ester Formula: C27H22ClN3O4 MolecularWeight: 487.93428

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)OCC(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3)Cl)CC4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1C(=O)OCC(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3)Cl)CC4=CC=CC=C4

InChI

InChI=1S/C27H22ClN3O4/c1-18-24(25(28)31(30-18)16-19-8-4-2-5-9-19)27(34)35-17-23(32)20-12-14-22(15-13-20)29-26(33)21-10-6-3-7-11-21/h2-15H,16-17H2,1H3,(H,29,33)