ethyl 1-[[5-(2-fluoranyl-4-methoxy-phenyl)-1H-pyrazol-4-yl]methyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[[5-(2-fluoranyl-4-methoxy-phenyl)-1H-pyrazol-4-yl]methyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[[5-(2-fluoro-4-methoxy-phenyl)-1H-pyrazol-4-yl]methyl]piperidine-4-carboxylate CAS Name: 1-[[5-(2-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[[5-(2-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidine-4-carboxylate Traditional Name: 1-[[5-(2-fluoro-4-methoxy-phenyl)-1H-pyrazol-4-yl]methyl]isonipecotic acid ethyl ester Formula: C19H24FN3O3 MolecularWeight: 361.410563

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)CC2=C(NN=C2)C3=C(C=C(C=C3)OC)F

Isomeric SMILES

CCOC(=O)C1CCN(CC1)CC2=C(NN=C2)C3=C(C=C(C=C3)OC)F

InChI

InChI=1S/C19H24FN3O3/c1-3-26-19(24)13-6-8-23(9-7-13)12-14-11-21-22-18(14)16-5-4-15(25-2)10-17(16)20/h4-5,10-11,13H,3,6-9,12H2,1-2H3,(H,21,22)