ethyl 1-[2-(2-chlorophenyl)-5-(4-fluorophenyl)pyrazol-3-yl]carbonylpiperidine-4-carboxylate

Systemtic Name: ethyl 1-[2-(2-chlorophenyl)-5-(4-fluorophenyl)pyrazol-3-yl]carbonylpiperidine-4-carboxylate Openeye Name: ethyl 1-[2-(2-chlorophenyl)-5-(4-fluorophenyl)pyrazole-3-carbonyl]piperidine-4-carboxylate CAS Name: 1-[[2-(2-chlorophenyl)-5-(4-fluorophenyl)-3-pyrazolyl]-oxomethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(2-chlorophenyl)-5-(4-fluorophenyl)pyrazole-3-carbonyl]piperidine-4-carboxylate Traditional Name: 1-[2-(2-chlorophenyl)-5-(4-fluorophenyl)pyrazole-3-carbonyl]isonipecotic acid ethyl ester Formula: C24H23ClFN3O3 MolecularWeight: 455.909123

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C2=CC(=NN2C3=CC=CC=C3Cl)C4=CC=C(C=C4)F

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)C2=CC(=NN2C3=CC=CC=C3Cl)C4=CC=C(C=C4)F

InChI

InChI=1S/C24H23ClFN3O3/c1-2-32-24(31)17-11-13-28(14-12-17)23(30)22-15-20(16-7-9-18(26)10-8-16)27-29(22)21-6-4-3-5-19(21)25/h3-10,15,17H,2,11-14H2,1H3