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

Systemtic Name: ethyl 1-[5-(2,4-dimethoxyphenyl)-2-(4-fluorophenyl)pyrazol-3-yl]carbonylpiperidine-4-carboxylate Openeye Name: ethyl 1-[5-(2,4-dimethoxyphenyl)-2-(4-fluorophenyl)pyrazole-3-carbonyl]piperidine-4-carboxylate CAS Name: 1-[[5-(2,4-dimethoxyphenyl)-2-(4-fluorophenyl)-3-pyrazolyl]-oxomethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[5-(2,4-dimethoxyphenyl)-2-(4-fluorophenyl)pyrazole-3-carbonyl]piperidine-4-carboxylate Traditional Name: 1-[5-(2,4-dimethoxyphenyl)-2-(4-fluorophenyl)pyrazole-3-carbonyl]isonipecotic acid ethyl ester Formula: C26H28FN3O5 MolecularWeight: 481.516023

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H28FN3O5/c1-4-35-26(32)17-11-13-29(14-12-17)25(31)23-16-22(21-10-9-20(33-2)15-24(21)34-3)28-30(23)19-7-5-18(27)6-8-19/h5-10,15-17H,4,11-14H2,1-3H3