ethyl (3S)-3-[(4-fluorophenyl)methyl]-1-(3-pyrazol-1-ylphenyl)carbonyl-piperidine-3-carboxylate

Systemtic Name: ethyl (3S)-3-[(4-fluorophenyl)methyl]-1-(3-pyrazol-1-ylphenyl)carbonyl-piperidine-3-carboxylate Openeye Name: ethyl (3S)-3-[(4-fluorophenyl)methyl]-1-(3-pyrazol-1-ylbenzoyl)piperidine-3-carboxylate CAS Name: (3S)-3-[(4-fluorophenyl)methyl]-1-[oxo-[3-(1-pyrazolyl)phenyl]methyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-3-[(4-fluorophenyl)methyl]-1-(3-pyrazol-1-ylbenzoyl)piperidine-3-carboxylate Traditional Name: (3S)-3-(4-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=C(C=C4)F

Isomeric SMILES

CCOC(=O)[C@@]1(CCCN(C1)C(=O)C2=CC(=CC=C2)N3C=CC=N3)CC4=CC=C(C=C4)F

InChI

InChI=1S/C25H26FN3O3/c1-2-32-24(31)25(17-19-8-10-21(26)11-9-19)12-4-14-28(18-25)23(30)20-6-3-7-22(16-20)29-15-5-13-27-29/h3,5-11,13,15-16H,2,4,12,14,17-18H2,1H3/t25-/m0/s1