[2-oxidanylidene-2-[[2-(phenylcarbonyl)phenyl]amino]ethyl] 5-propyl-1H-pyrazole-3-carboxylate

Systemtic Name: [2-oxidanylidene-2-[[2-(phenylcarbonyl)phenyl]amino]ethyl] 5-propyl-1H-pyrazole-3-carboxylate Openeye Name: [2-(2-benzoylanilino)-2-oxo-ethyl] 5-propyl-1H-pyrazole-3-carboxylate CAS Name: 5-propyl-1H-pyrazole-3-carboxylic acid [2-(2-benzoylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-benzoylanilino)-2-oxoethyl] 5-propyl-1H-pyrazole-3-carboxylate Traditional Name: 5-propyl-1H-pyrazole-3-carboxylic acid [2-(2-benzoylanilino)-2-keto-ethyl] ester Formula: C22H21N3O4 MolecularWeight: 391.41984

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=NN1)C(=O)OCC(=O)NC2=CC=CC=C2C(=O)C3=CC=CC=C3

Isomeric SMILES

CCCC1=CC(=NN1)C(=O)OCC(=O)NC2=CC=CC=C2C(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H21N3O4/c1-2-8-16-13-19(25-24-16)22(28)29-14-20(26)23-18-12-7-6-11-17(18)21(27)15-9-4-3-5-10-15/h3-7,9-13H,2,8,14H2,1H3,(H,23,26)(H,24,25)