4-[[4-[4-cyano-3-(trifluoromethyl)phenyl]-2,5-dimethyl-piperazin-1-yl]carbonylamino]pyridine-2-carboxylate

Systemtic Name: 4-[[4-[4-cyano-3-(trifluoromethyl)phenyl]-2,5-dimethyl-piperazin-1-yl]carbonylamino]pyridine-2-carboxylate Openeye Name: 4-[[4-[4-cyano-3-(trifluoromethyl)phenyl]-2,5-dimethyl-piperazine-1-carbonyl]amino]pyridine-2-carboxylate CAS Name: 4-[[[4-[4-cyano-3-(trifluoromethyl)phenyl]-2,5-dimethyl-1-piperazinyl]-oxomethyl]amino]-2-pyridinecarboxylate IUPAC Name: 4-[[4-[4-cyano-3-(trifluoromethyl)phenyl]-2,5-dimethylpiperazine-1-carbonyl]amino]pyridine-2-carboxylate Traditional Name: 4-[[4-[4-cyano-3-(trifluoromethyl)phenyl]-2,5-dimethyl-piperazine-1-carbonyl]amino]picolinate Formula: C21H19F3N5O3- MolecularWeight: 446.40247

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(C(CN1C(=O)NC2=CC(=NC=C2)C(=O)[O-])C)C3=CC(=C(C=C3)C#N)C(F)(F)F

Isomeric SMILES

CC1CN(C(CN1C(=O)NC2=CC(=NC=C2)C(=O)[O-])C)C3=CC(=C(C=C3)C#N)C(F)(F)F

InChI

InChI=1S/C21H20F3N5O3/c1-12-11-29(20(32)27-15-5-6-26-18(7-15)19(30)31)13(2)10-28(12)16-4-3-14(9-25)17(8-16)21(22,23)24/h3-8,12-13H,10-11H2,1-2H3,(H,30,31)(H,26,27,32)/p-1