(4-pyrazol-1-ylphenyl)methyl 1-[2,4-bis(fluoranyl)phenyl]carbonylpiperidine-4-carboxylate

Systemtic Name: (4-pyrazol-1-ylphenyl)methyl 1-[2,4-bis(fluoranyl)phenyl]carbonylpiperidine-4-carboxylate Openeye Name: (4-pyrazol-1-ylphenyl)methyl 1-(2,4-difluorobenzoyl)piperidine-4-carboxylate CAS Name: 1-[(2,4-difluorophenyl)-oxomethyl]-4-piperidinecarboxylic acid [4-(1-pyrazolyl)phenyl]methyl ester IUPAC Name: (4-pyrazol-1-ylphenyl)methyl 1-(2,4-difluorobenzoyl)piperidine-4-carboxylate Traditional Name: 1-(2,4-difluorobenzoyl)isonipecotic acid (4-pyrazol-1-ylbenzyl) ester Formula: C23H21F2N3O3 MolecularWeight: 425.427946

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCC2=CC=C(C=C2)N3C=CC=N3)C(=O)C4=C(C=C(C=C4)F)F

Isomeric SMILES

C1CN(CCC1C(=O)OCC2=CC=C(C=C2)N3C=CC=N3)C(=O)C4=C(C=C(C=C4)F)F

InChI

InChI=1S/C23H21F2N3O3/c24-18-4-7-20(21(25)14-18)22(29)27-12-8-17(9-13-27)23(30)31-15-16-2-5-19(6-3-16)28-11-1-10-26-28/h1-7,10-11,14,17H,8-9,12-13,15H2