(2-oxidanylidene-2-piperidin-1-yl-ethyl) 3-(2-methylphenyl)-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: (2-oxidanylidene-2-piperidin-1-yl-ethyl) 3-(2-methylphenyl)-1-phenyl-pyrazole-4-carboxylate Openeye Name: [2-oxo-2-(1-piperidyl)ethyl] 3-(o-tolyl)-1-phenyl-pyrazole-4-carboxylate CAS Name: 3-(2-methylphenyl)-1-phenyl-4-pyrazolecarboxylic acid [2-oxo-2-(1-piperidinyl)ethyl] ester IUPAC Name: (2-oxo-2-piperidin-1-ylethyl) 3-(2-methylphenyl)-1-phenylpyrazole-4-carboxylate Traditional Name: 3-(o-tolyl)-1-phenyl-pyrazole-4-carboxylic acid (2-keto-2-piperidino-ethyl) ester Formula: C24H25N3O3 MolecularWeight: 403.4736

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NN(C=C2C(=O)OCC(=O)N3CCCCC3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC=C1C2=NN(C=C2C(=O)OCC(=O)N3CCCCC3)C4=CC=CC=C4

InChI

InChI=1S/C24H25N3O3/c1-18-10-6-7-13-20(18)23-21(16-27(25-23)19-11-4-2-5-12-19)24(29)30-17-22(28)26-14-8-3-9-15-26/h2,4-7,10-13,16H,3,8-9,14-15,17H2,1H3