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

Systemtic Name: N-(2-bromanylpyridin-4-yl)-4-[4-cyano-3-(trifluoromethyl)phenyl]-2,5-dimethyl-piperazine-1-carboxamide Openeye Name: N-(2-bromo-4-pyridyl)-4-[4-cyano-3-(trifluoromethyl)phenyl]-2,5-dimethyl-piperazine-1-carboxamide CAS Name: N-(2-bromo-4-pyridinyl)-4-[4-cyano-3-(trifluoromethyl)phenyl]-2,5-dimethyl-1-piperazinecarboxamide IUPAC Name: N-(2-bromopyridin-4-yl)-4-[4-cyano-3-(trifluoromethyl)phenyl]-2,5-dimethylpiperazine-1-carboxamide Traditional Name: N-(2-bromo-4-pyridyl)-4-[4-cyano-3-(trifluoromethyl)phenyl]-2,5-dimethyl-piperazine-1-carboxamide Formula: C20H19BrF3N5O MolecularWeight: 482.29697

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19BrF3N5O/c1-12-11-29(19(30)27-15-5-6-26-18(21)7-15)13(2)10-28(12)16-4-3-14(9-25)17(8-16)20(22,23)24/h3-8,12-13H,10-11H2,1-2H3,(H,26,27,30)