methyl 1-[[5-(3-fluoranyl-4-methoxy-phenyl)-1H-pyrazol-4-yl]methyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[[5-(3-fluoranyl-4-methoxy-phenyl)-1H-pyrazol-4-yl]methyl]piperidine-4-carboxylate Openeye Name: methyl 1-[[5-(3-fluoro-4-methoxy-phenyl)-1H-pyrazol-4-yl]methyl]piperidine-4-carboxylate CAS Name: 1-[[5-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[[5-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidine-4-carboxylate Traditional Name: 1-[[5-(3-fluoro-4-methoxy-phenyl)-1H-pyrazol-4-yl]methyl]isonipecotic acid methyl ester Formula: C18H22FN3O3 MolecularWeight: 347.383983

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=C(C=NN2)CN3CCC(CC3)C(=O)OC)F

Isomeric SMILES

COC1=C(C=C(C=C1)C2=C(C=NN2)CN3CCC(CC3)C(=O)OC)F

InChI

InChI=1S/C18H22FN3O3/c1-24-16-4-3-13(9-15(16)19)17-14(10-20-21-17)11-22-7-5-12(6-8-22)18(23)25-2/h3-4,9-10,12H,5-8,11H2,1-2H3,(H,20,21)