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

Systemtic Name: ethyl 4-[(3-fluorophenyl)methyl]-1-(3-pyrazol-1-ylpropyl)piperidine-4-carboxylate Openeye Name: ethyl 4-[(3-fluorophenyl)methyl]-1-(3-pyrazol-1-ylpropyl)piperidine-4-carboxylate CAS Name: 4-[(3-fluorophenyl)methyl]-1-[3-(1-pyrazolyl)propyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3-fluorophenyl)methyl]-1-(3-pyrazol-1-ylpropyl)piperidine-4-carboxylate Traditional Name: 4-(3-fluorobenzyl)-1-(3-pyrazol-1-ylpropyl)isonipecotic acid ethyl ester Formula: C21H28FN3O2 MolecularWeight: 373.464323

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)CCCN2C=CC=N2)CC3=CC(=CC=C3)F

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)CCCN2C=CC=N2)CC3=CC(=CC=C3)F

InChI

InChI=1S/C21H28FN3O2/c1-2-27-20(26)21(17-18-6-3-7-19(22)16-18)8-14-24(15-9-21)11-5-13-25-12-4-10-23-25/h3-4,6-7,10,12,16H,2,5,8-9,11,13-15,17H2,1H3