4-[4-cyano-3-(trifluoromethyl)phenyl]-N-(6-fluoranylpyridin-3-yl)-2,5-dimethyl-piperazine-1-carboxamide

Systemtic Name: 4-[4-cyano-3-(trifluoromethyl)phenyl]-N-(6-fluoranylpyridin-3-yl)-2,5-dimethyl-piperazine-1-carboxamide Openeye Name: 4-[4-cyano-3-(trifluoromethyl)phenyl]-N-(6-fluoro-3-pyridyl)-2,5-dimethyl-piperazine-1-carboxamide CAS Name: 4-[4-cyano-3-(trifluoromethyl)phenyl]-N-(6-fluoro-3-pyridinyl)-2,5-dimethyl-1-piperazinecarboxamide IUPAC Name: 4-[4-cyano-3-(trifluoromethyl)phenyl]-N-(6-fluoropyridin-3-yl)-2,5-dimethylpiperazine-1-carboxamide Traditional Name: 4-[4-cyano-3-(trifluoromethyl)phenyl]-N-(6-fluoro-3-pyridyl)-2,5-dimethyl-piperazine-1-carboxamide Formula: C20H19F4N5O MolecularWeight: 421.391373

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19F4N5O/c1-12-11-29(19(30)27-15-4-6-18(21)26-9-15)13(2)10-28(12)16-5-3-14(8-25)17(7-16)20(22,23)24/h3-7,9,12-13H,10-11H2,1-2H3,(H,27,30)