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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C2=CC(=NN2C3=CC=C(C=C3)F)C4=C(C=C(C=C4)OC)OC

Isomeric SMILES

CCOC(=O)C1CCCN(C1)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)17-6-5-13-29(16-17)25(31)23-15-22(21-12-11-20(33-2)14-24(21)34-3)28-30(23)19-9-7-18(27)8-10-19/h7-12,14-15,17H,4-6,13,16H2,1-3H3