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

Systemtic Name: 4-(3-bromanyl-4-cyano-phenyl)-2,5-dimethyl-N-[6-(trifluoromethyl)pyridin-3-yl]piperazine-1-carboxamide Openeye Name: 4-(3-bromo-4-cyano-phenyl)-2,5-dimethyl-N-[6-(trifluoromethyl)-3-pyridyl]piperazine-1-carboxamide CAS Name: 4-(3-bromo-4-cyanophenyl)-2,5-dimethyl-N-[6-(trifluoromethyl)-3-pyridinyl]-1-piperazinecarboxamide IUPAC Name: 4-(3-bromo-4-cyanophenyl)-2,5-dimethyl-N-[6-(trifluoromethyl)pyridin-3-yl]piperazine-1-carboxamide Traditional Name: 4-(3-bromo-4-cyano-phenyl)-2,5-dimethyl-N-[6-(trifluoromethyl)-3-pyridyl]piperazine-1-carboxamide Formula: C20H19BrF3N5O MolecularWeight: 482.29697

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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