3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]carbonylpyridine-2-carboxylic acid

Systemtic Name: 3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]carbonylpyridine-2-carboxylic acid Openeye Name: 3-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]pyridine-2-carboxylic acid CAS Name: 3-[oxo-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]methyl]-2-pyridinecarboxylic acid IUPAC Name: 3-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]pyridine-2-carboxylic acid Traditional Name: 3-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]picolinic acid Formula: C18H16F3N3O3 MolecularWeight: 379.33315

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC(=C2)C(F)(F)F)C(=O)C3=C(N=CC=C3)C(=O)O

Isomeric SMILES

C1CN(CCN1C2=CC=CC(=C2)C(F)(F)F)C(=O)C3=C(N=CC=C3)C(=O)O

InChI

InChI=1S/C18H16F3N3O3/c19-18(20,21)12-3-1-4-13(11-12)23-7-9-24(10-8-23)16(25)14-5-2-6-22-15(14)17(26)27/h1-6,11H,7-10H2,(H,26,27)