[2-oxidanylidene-2-[2-(phenylcarbonyl)hydrazinyl]ethyl] 3,5-dimethyl-1-(phenylmethyl)pyrazole-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-[2-(phenylcarbonyl)hydrazinyl]ethyl] 3,5-dimethyl-1-(phenylmethyl)pyrazole-4-carboxylate Openeye Name: [2-(2-benzoylhydrazino)-2-oxo-ethyl] 1-benzyl-3,5-dimethyl-pyrazole-4-carboxylate CAS Name: 3,5-dimethyl-1-(phenylmethyl)-4-pyrazolecarboxylic acid [2-(benzoylhydrazo)-2-oxoethyl] ester IUPAC Name: [2-(2-benzoylhydrazinyl)-2-oxoethyl] 1-benzyl-3,5-dimethylpyrazole-4-carboxylate Traditional Name: 1-benzyl-3,5-dimethyl-pyrazole-4-carboxylic acid [2-(N'-benzoylhydrazino)-2-keto-ethyl] ester Formula: C22H22N4O4 MolecularWeight: 406.43448

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=CC=C2)C)C(=O)OCC(=O)NNC(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC=C2)C)C(=O)OCC(=O)NNC(=O)C3=CC=CC=C3

InChI

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