Chem
J-GLOBAL ID：200907003785207407   Nikkaji number：J2.064.797C

3,5-Difluoro-4-[(3aβ,3bα,7aβ)-decahydro-1,3-dioxo-2-methyl-2,6a-diaza-6aH-cyclopenta[a]pentalene-7α-yl]benzamidine

4-[(3aR,4S,8aR,8bS)-2-メチル-1,3-ジオキソ-デカヒドロピロロ[3,4-a]ピロリジン-4-イル]-3,5-ジフルオロベンゼン-1-カルボキシミドアミド
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： C17H18F2N4O2
Molecular formula furigana： C17-H18-F2-N4-O2
Molecular weight： 348.354
InChI： InChI=1S/C17H18F2N4O2/c1-22-16(24)12-10-3-2-4-23(10)14(13(12)17(22)25)11-8(18)5-7(15(20)21)6-9(11)19/h5-6,10,12-14H,2-4H2,1H3,(H3,20,21)/t10-,12-,13-,14-/m1/s1
InChI key： HUVMFZMRSFRYFU-FMKGYKFTSA-N
SMILES： CN1C(=O)[C@@H]2[C@H]3CCCN3[C@@H]([C@@H]2C1=O)c1c(F)cc(cc1F)C(=N)N
Systematic name  (3)：
  • 3,5-ジフルオロ-4-[(3aβ,3bα,7aβ)-デカヒドロ-1,3-ジオキソ-2-メチル-2,6a-ジアザ-6aH-シクロペンタ[a]ペンタレン-7α-イル]ベンズアミジン
  • 4-[(3aR,4S,8aR,8bS)-2-メチル-1,3-ジオキソ-デカヒドロピロロ[3,4-a]ピロリジン-4-イル]-3,5-ジフルオロベンゼン-1-カルボキシミドアミド
  • 4-[(3aR,4S,8aR,8bS)-2-methyl-1,3-dioxo-decahydropyrrolo[3,4-a]pyrrolizin-4-yl]-3,5-difluorobenzene-1-carboximidamide
Other name (1)：
  • 3,5-Difluoro-4-[(3aβ,3bα,7aβ)-decahydro-1,3-dioxo-2-methyl-2,6a-diaza-6aH-cyclopenta[a]pentalene-7α-yl]benzamidine
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