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

Systemtic Name: ethyl 1-[2-(2,5-dimethylphenyl)-5-(2-fluorophenyl)pyrazol-3-yl]carbonylpiperidine-4-carboxylate Openeye Name: ethyl 1-[2-(2,5-dimethylphenyl)-5-(2-fluorophenyl)pyrazole-3-carbonyl]piperidine-4-carboxylate CAS Name: 1-[[2-(2,5-dimethylphenyl)-5-(2-fluorophenyl)-3-pyrazolyl]-oxomethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(2,5-dimethylphenyl)-5-(2-fluorophenyl)pyrazole-3-carbonyl]piperidine-4-carboxylate Traditional Name: 1-[2-(2,5-dimethylphenyl)-5-(2-fluorophenyl)pyrazole-3-carbonyl]isonipecotic acid ethyl ester Formula: C26H28FN3O3 MolecularWeight: 449.517223

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C2=CC(=NN2C3=C(C=CC(=C3)C)C)C4=CC=CC=C4F

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)C2=CC(=NN2C3=C(C=CC(=C3)C)C)C4=CC=CC=C4F

InChI

InChI=1S/C26H28FN3O3/c1-4-33-26(32)19-11-13-29(14-12-19)25(31)24-16-22(20-7-5-6-8-21(20)27)28-30(24)23-15-17(2)9-10-18(23)3/h5-10,15-16,19H,4,11-14H2,1-3H3