ethyl (3R)-3-[(2-fluorophenyl)methyl]-1-[(3-thiophen-3-yl-1H-pyrazol-5-yl)carbonyl]piperidine-3-carboxylate

Systemtic Name: ethyl (3R)-3-[(2-fluorophenyl)methyl]-1-[(3-thiophen-3-yl-1H-pyrazol-5-yl)carbonyl]piperidine-3-carboxylate Openeye Name: ethyl (3R)-3-[(2-fluorophenyl)methyl]-1-[3-(3-thienyl)-1H-pyrazole-5-carbonyl]piperidine-3-carboxylate CAS Name: (3R)-3-[(2-fluorophenyl)methyl]-1-[oxo-[3-(3-thiophenyl)-1H-pyrazol-5-yl]methyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3R)-3-[(2-fluorophenyl)methyl]-1-(3-thiophen-3-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxylate Traditional Name: (3R)-3-(2-fluorobenzyl)-1-[3-(3-thienyl)-1H-pyrazole-5-carbonyl]nipecotic acid ethyl ester Formula: C23H24FN3O3S MolecularWeight: 441.518363

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCN(C1)C(=O)C2=CC(=NN2)C3=CSC=C3)CC4=CC=CC=C4F

Isomeric SMILES

CCOC(=O)[C@]1(CCCN(C1)C(=O)C2=CC(=NN2)C3=CSC=C3)CC4=CC=CC=C4F

InChI

InChI=1S/C23H24FN3O3S/c1-2-30-22(29)23(13-16-6-3-4-7-18(16)24)9-5-10-27(15-23)21(28)20-12-19(25-26-20)17-8-11-31-14-17/h3-4,6-8,11-12,14H,2,5,9-10,13,15H2,1H3,(H,25,26)/t23-/m1/s1