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

Systemtic Name: ethyl 1-[1-(4-fluorophenyl)-4-propoxy-pyrazol-3-yl]carbonylpiperidine-4-carboxylate Openeye Name: ethyl 1-[1-(4-fluorophenyl)-4-propoxy-pyrazole-3-carbonyl]piperidine-4-carboxylate CAS Name: 1-[[1-(4-fluorophenyl)-4-propoxy-3-pyrazolyl]-oxomethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[1-(4-fluorophenyl)-4-propoxypyrazole-3-carbonyl]piperidine-4-carboxylate Traditional Name: 1-[1-(4-fluorophenyl)-4-propoxy-pyrazole-3-carbonyl]isonipecotic acid ethyl ester Formula: C21H26FN3O4 MolecularWeight: 403.447243

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CN(N=C1C(=O)N2CCC(CC2)C(=O)OCC)C3=CC=C(C=C3)F

Isomeric SMILES

CCCOC1=CN(N=C1C(=O)N2CCC(CC2)C(=O)OCC)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H26FN3O4/c1-3-13-29-18-14-25(17-7-5-16(22)6-8-17)23-19(18)20(26)24-11-9-15(10-12-24)21(27)28-4-2/h5-8,14-15H,3-4,9-13H2,1-2H3