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

Systemtic Name: (2R,5S)-4-[4-cyano-3-(trifluoromethyl)phenyl]-2,5-dimethyl-N-pyrimidin-4-yl-piperazine-1-carboxamide Openeye Name: (2R,5S)-4-[4-cyano-3-(trifluoromethyl)phenyl]-2,5-dimethyl-N-pyrimidin-4-yl-piperazine-1-carboxamide CAS Name: (2R,5S)-4-[4-cyano-3-(trifluoromethyl)phenyl]-2,5-dimethyl-N-(4-pyrimidinyl)-1-piperazinecarboxamide IUPAC Name: (2R,5S)-4-[4-cyano-3-(trifluoromethyl)phenyl]-2,5-dimethyl-N-pyrimidin-4-ylpiperazine-1-carboxamide Traditional Name: (2R,5S)-4-[4-cyano-3-(trifluoromethyl)phenyl]-2,5-dimethyl-N-(4-pyrimidyl)piperazine-1-carboxamide Formula: C19H19F3N6O MolecularWeight: 404.38897

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19F3N6O/c1-12-10-28(18(29)26-17-5-6-24-11-25-17)13(2)9-27(12)15-4-3-14(8-23)16(7-15)19(20,21)22/h3-7,11-13H,9-10H2,1-2H3,(H,24,25,26,29)/t12-,13+/m0/s1