6-[[4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]carbonylamino]hexanoic acid

Systemtic Name: 6-[[4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]carbonylamino]hexanoic acid Openeye Name: 6-[[4-[3-(3-pyridyl)-5-(trifluoromethyl)pyrazol-1-yl]benzoyl]amino]hexanoic acid CAS Name: 6-[[oxo-[4-[3-(3-pyridinyl)-5-(trifluoromethyl)-1-pyrazolyl]phenyl]methyl]amino]hexanoic acid IUPAC Name: 6-[[4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzoyl]amino]hexanoic acid Traditional Name: 6-[[4-[3-(3-pyridyl)-5-(trifluoromethyl)pyrazol-1-yl]benzoyl]amino]hexanoic acid Formula: C22H21F3N4O3 MolecularWeight: 446.42235

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C2=NN(C(=C2)C(F)(F)F)C3=CC=C(C=C3)C(=O)NCCCCCC(=O)O

Isomeric SMILES

C1=CC(=CN=C1)C2=NN(C(=C2)C(F)(F)F)C3=CC=C(C=C3)C(=O)NCCCCCC(=O)O

InChI

InChI=1S/C22H21F3N4O3/c23-22(24,25)19-13-18(16-5-4-11-26-14-16)28-29(19)17-9-7-15(8-10-17)21(32)27-12-3-1-2-6-20(30)31/h4-5,7-11,13-14H,1-3,6,12H2,(H,27,32)(H,30,31)