ethyl 1-[4-ethoxy-1-(4-fluorophenyl)pyrazol-3-yl]carbonylpiperidine-4-carboxylate

Systemtic Name: ethyl 1-[4-ethoxy-1-(4-fluorophenyl)pyrazol-3-yl]carbonylpiperidine-4-carboxylate Openeye Name: ethyl 1-[4-ethoxy-1-(4-fluorophenyl)pyrazole-3-carbonyl]piperidine-4-carboxylate CAS Name: 1-[[4-ethoxy-1-(4-fluorophenyl)-3-pyrazolyl]-oxomethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-ethoxy-1-(4-fluorophenyl)pyrazole-3-carbonyl]piperidine-4-carboxylate Traditional Name: 1-[4-ethoxy-1-(4-fluorophenyl)pyrazole-3-carbonyl]isonipecotic acid ethyl ester Formula: C20H24FN3O4 MolecularWeight: 389.420663

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CN(N=C1C(=O)N2CCC(CC2)C(=O)OCC)C3=CC=C(C=C3)F

Isomeric SMILES

CCOC1=CN(N=C1C(=O)N2CCC(CC2)C(=O)OCC)C3=CC=C(C=C3)F

InChI

InChI=1S/C20H24FN3O4/c1-3-27-17-13-24(16-7-5-15(21)6-8-16)22-18(17)19(25)23-11-9-14(10-12-23)20(26)28-4-2/h5-8,13-14H,3-4,9-12H2,1-2H3