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

Systemtic Name: (2-oxidanylidene-2-piperidin-1-yl-ethyl) 3-(4-fluorophenyl)-1-phenyl-pyrazole-4-carboxylate Openeye Name: [2-oxo-2-(1-piperidyl)ethyl] 3-(4-fluorophenyl)-1-phenyl-pyrazole-4-carboxylate CAS Name: 3-(4-fluorophenyl)-1-phenyl-4-pyrazolecarboxylic acid [2-oxo-2-(1-piperidinyl)ethyl] ester IUPAC Name: (2-oxo-2-piperidin-1-ylethyl) 3-(4-fluorophenyl)-1-phenylpyrazole-4-carboxylate Traditional Name: 3-(4-fluorophenyl)-1-phenyl-pyrazole-4-carboxylic acid (2-keto-2-piperidino-ethyl) ester Formula: C23H22FN3O3 MolecularWeight: 407.437483

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)COC(=O)C2=CN(N=C2C3=CC=C(C=C3)F)C4=CC=CC=C4

Isomeric SMILES

C1CCN(CC1)C(=O)COC(=O)C2=CN(N=C2C3=CC=C(C=C3)F)C4=CC=CC=C4

InChI

InChI=1S/C23H22FN3O3/c24-18-11-9-17(10-12-18)22-20(15-27(25-22)19-7-3-1-4-8-19)23(29)30-16-21(28)26-13-5-2-6-14-26/h1,3-4,7-12,15H,2,5-6,13-14,16H2