1-phenyl-3-[[[1-[5-(trifluoromethyl)pyridin-2-yl]piperidin-4-yl]carbonylamino]carbamoyl]pyrazol-4-olate

Systemtic Name: 1-phenyl-3-[[[1-[5-(trifluoromethyl)pyridin-2-yl]piperidin-4-yl]carbonylamino]carbamoyl]pyrazol-4-olate Openeye Name: 1-phenyl-3-[[[1-[5-(trifluoromethyl)-2-pyridyl]piperidine-4-carbonyl]amino]carbamoyl]pyrazol-4-olate CAS Name: 3-[oxo-[[oxo-[1-[5-(trifluoromethyl)-2-pyridinyl]-4-piperidinyl]methyl]hydrazo]methyl]-1-phenyl-4-pyrazololate IUPAC Name: 1-phenyl-3-[[[1-[5-(trifluoromethyl)pyridin-2-yl]piperidine-4-carbonyl]amino]carbamoyl]pyrazol-4-olate Traditional Name: 1-phenyl-3-[[[1-[5-(trifluoromethyl)-2-pyridyl]isonipecotoyl]amino]carbamoyl]pyrazol-4-olate Formula: C22H20F3N6O3- MolecularWeight: 473.42781

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NNC(=O)C2=NN(C=C2[O-])C3=CC=CC=C3)C4=NC=C(C=C4)C(F)(F)F

Isomeric SMILES

C1CN(CCC1C(=O)NNC(=O)C2=NN(C=C2[O-])C3=CC=CC=C3)C4=NC=C(C=C4)C(F)(F)F

InChI

InChI=1S/C22H21F3N6O3/c23-22(24,25)15-6-7-18(26-12-15)30-10-8-14(9-11-30)20(33)27-28-21(34)19-17(32)13-31(29-19)16-4-2-1-3-5-16/h1-7,12-14,32H,8-11H2,(H,27,33)(H,28,34)/p-1