Chem
J-GLOBAL ID：201307076772105923   Nikkaji number：J3.210.545I

(3aβ,7aα)-1,3-Bis(2,6-difluoro-4-pyridinyl)octahydro-1H-benzoimidazole

(3aβ,7aα)-1,3-ビス(2,6-ジフルオロ-4-ピリジニル)オクタヒドロ-1H-ベンゾイミダゾール
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C17H16F4N4
Molecular formula furigana： C17-H16-F4-N4
Molecular weight： 352.337
InChI： InChI=1S/C17H16F4N4/c18-14-5-10(6-15(19)22-14)24-9-25(13-4-2-1-3-12(13)24)11-7-16(20)23-17(21)8-11/h5-8,12-13H,1-4,9H2/t12-,13-/m1/s1
InChI key： BFMOGEZTWHCIHI-CHWSQXEVSA-N
SMILES： Fc1cc(cc(F)n1)N1CN([C@@H]2CCCC[C@@H]12)c1cc(F)nc(F)c1
Systematic name  (3)：
  • (3aβ,7aα)-1,3-ビス(2,6-ジフルオロ-4-ピリジニル)オクタヒドロ-1H-ベンゾイミダゾール
  • (3aR,7aR)-1,3-ビス(2,6-ジフルオロピリジン-4-イル)-オクタヒドロ-1H-1,3-ベンゾジアゾール
  • (3aR,7aR)-1,3-bis(2,6-difluoropyridin-4-yl)-octahydro-1H-1,3-benzodiazole
Other name (1)：
  • (3aβ,7aα)-1,3-Bis(2,6-difluoro-4-pyridinyl)octahydro-1H-benzoimidazole
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