3-azanyl-N-[[4-fluoranyl-2-(trifluoromethyl)phenyl]methyl]pyrazine-2-carboxamide

Systemtic Name: 3-azanyl-N-[[4-fluoranyl-2-(trifluoromethyl)phenyl]methyl]pyrazine-2-carboxamide Openeye Name: 3-amino-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]pyrazine-2-carboxamide CAS Name: 3-amino-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-2-pyrazinecarboxamide IUPAC Name: 3-amino-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]pyrazine-2-carboxamide Traditional Name: 3-amino-N-[4-fluoro-2-(trifluoromethyl)benzyl]pyrazinamide Formula: C13H10F4N4O MolecularWeight: 314.238313

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1F)C(F)(F)F)CNC(=O)C2=NC=CN=C2N

Isomeric SMILES

C1=CC(=C(C=C1F)C(F)(F)F)CNC(=O)C2=NC=CN=C2N

InChI

InChI=1S/C13H10F4N4O/c14-8-2-1-7(9(5-8)13(15,16)17)6-21-12(22)10-11(18)20-4-3-19-10/h1-5H,6H2,(H2,18,20)(H,21,22)