ethyl 1-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]-4-[(3-fluorophenyl)methyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]-4-[(3-fluorophenyl)methyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]-4-[(3-fluorophenyl)methyl]piperidine-4-carboxylate CAS Name: 1-[(1-ethyl-5-methyl-4-pyrazolyl)methyl]-4-[(3-fluorophenyl)methyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-4-[(3-fluorophenyl)methyl]piperidine-4-carboxylate Traditional Name: 1-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]-4-(3-fluorobenzyl)isonipecotic acid ethyl ester Formula: C22H30FN3O2 MolecularWeight: 387.490903

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C=N1)CN2CCC(CC2)(CC3=CC(=CC=C3)F)C(=O)OCC)C

Isomeric SMILES

CCN1C(=C(C=N1)CN2CCC(CC2)(CC3=CC(=CC=C3)F)C(=O)OCC)C

InChI

InChI=1S/C22H30FN3O2/c1-4-26-17(3)19(15-24-26)16-25-11-9-22(10-12-25,21(27)28-5-2)14-18-7-6-8-20(23)13-18/h6-8,13,15H,4-5,9-12,14,16H2,1-3H3