1-[6-[5-(trifluoromethyl)-1H-pyrazol-4-yl]quinolin-4-yl]piperidine-4-carboxylic acid

Systemtic Name: 1-[6-[5-(trifluoromethyl)-1H-pyrazol-4-yl]quinolin-4-yl]piperidine-4-carboxylic acid Openeye Name: 1-[6-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-4-quinolyl]piperidine-4-carboxylic acid CAS Name: 1-[6-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-4-quinolinyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[6-[5-(trifluoromethyl)-1H-pyrazol-4-yl]quinolin-4-yl]piperidine-4-carboxylic acid Traditional Name: 1-[6-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-4-quinolyl]isonipecotic acid Formula: C19H17F3N4O2 MolecularWeight: 390.35909

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C2=C3C=C(C=CC3=NC=C2)C4=C(NN=C4)C(F)(F)F

Isomeric SMILES

C1CN(CCC1C(=O)O)C2=C3C=C(C=CC3=NC=C2)C4=C(NN=C4)C(F)(F)F

InChI

InChI=1S/C19H17F3N4O2/c20-19(21,22)17-14(10-24-25-17)12-1-2-15-13(9-12)16(3-6-23-15)26-7-4-11(5-8-26)18(27)28/h1-3,6,9-11H,4-5,7-8H2,(H,24,25)(H,27,28)