ethyl 3-[(2-fluorophenyl)methyl]-1-(3-pyrazol-1-ylphenyl)carbonyl-piperidine-3-carboxylate

Systemtic Name: ethyl 3-[(2-fluorophenyl)methyl]-1-(3-pyrazol-1-ylphenyl)carbonyl-piperidine-3-carboxylate Openeye Name: ethyl 3-[(2-fluorophenyl)methyl]-1-(3-pyrazol-1-ylbenzoyl)piperidine-3-carboxylate CAS Name: 3-[(2-fluorophenyl)methyl]-1-[oxo-[3-(1-pyrazolyl)phenyl]methyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[(2-fluorophenyl)methyl]-1-(3-pyrazol-1-ylbenzoyl)piperidine-3-carboxylate Traditional Name: 3-(2-fluorobenzyl)-1-(3-pyrazol-1-ylbenzoyl)nipecotic acid ethyl ester Formula: C25H26FN3O3 MolecularWeight: 435.490643

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCN(C1)C(=O)C2=CC(=CC=C2)N3C=CC=N3)CC4=CC=CC=C4F

Isomeric SMILES

CCOC(=O)C1(CCCN(C1)C(=O)C2=CC(=CC=C2)N3C=CC=N3)CC4=CC=CC=C4F

InChI

InChI=1S/C25H26FN3O3/c1-2-32-24(31)25(17-20-8-3-4-11-22(20)26)12-6-14-28(18-25)23(30)19-9-5-10-21(16-19)29-15-7-13-27-29/h3-5,7-11,13,15-16H,2,6,12,14,17-18H2,1H3