(2R,5S)-4-[4-cyano-3-(trifluoromethyl)phenyl]-2,5-dimethyl-N-pyridin-2-yl-piperazine-1-carboxamide

Systemtic Name: (2R,5S)-4-[4-cyano-3-(trifluoromethyl)phenyl]-2,5-dimethyl-N-pyridin-2-yl-piperazine-1-carboxamide Openeye Name: (2R,5S)-4-[4-cyano-3-(trifluoromethyl)phenyl]-2,5-dimethyl-N-(2-pyridyl)piperazine-1-carboxamide CAS Name: (2R,5S)-4-[4-cyano-3-(trifluoromethyl)phenyl]-2,5-dimethyl-N-(2-pyridinyl)-1-piperazinecarboxamide IUPAC Name: (2R,5S)-4-[4-cyano-3-(trifluoromethyl)phenyl]-2,5-dimethyl-N-pyridin-2-ylpiperazine-1-carboxamide Traditional Name: (2R,5S)-4-[4-cyano-3-(trifluoromethyl)phenyl]-2,5-dimethyl-N-(2-pyridyl)piperazine-1-carboxamide Formula: C20H20F3N5O MolecularWeight: 403.40091

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(C(CN1C(=O)NC2=CC=CC=N2)C)C3=CC(=C(C=C3)C#N)C(F)(F)F

Isomeric SMILES

C[C@@H]1CN([C@H](CN1C(=O)NC2=CC=CC=N2)C)C3=CC(=C(C=C3)C#N)C(F)(F)F

InChI

InChI=1S/C20H20F3N5O/c1-13-12-28(19(29)26-18-5-3-4-8-25-18)14(2)11-27(13)16-7-6-15(10-24)17(9-16)20(21,22)23/h3-9,13-14H,11-12H2,1-2H3,(H,25,26,29)/t13-,14+/m0/s1