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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(C(CN1C(=O)NC2=CN=CC=C2)C)C3=CC(=C(C=C3)C#N)C(F)(F)F

Isomeric SMILES

C[C@@H]1CN([C@H](CN1C(=O)NC2=CN=CC=C2)C)C3=CC(=C(C=C3)C#N)C(F)(F)F

InChI

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