Chem
J-GLOBAL ID：200907080199865432   Nikkaji number：J2.349.813H

(3aα,3bβ,7aα)-3α-Isopropyl-2-(4-chlorobenzyl)-7β-(4-amidinophenyl)decahydro-2,6a-diaza-6aH-cyclopenta[a]pentalene-1-one

(3aα,3bβ,7aα)-3α-イソプロピル-2-(4-クロロベンジル)-7β-(4-アミジノフェニル)デカヒドロ-2,6a-ジアザ-6aH-シクロペンタ[a]ペンタレン-1-オン
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： C26H31ClN4O
Molecular formula furigana： C26-H31-CL-N4-O
Molecular weight： 451.010
InChI： InChI=1S/C26H31ClN4O/c1-15(2)23-21-20-4-3-13-30(20)24(17-7-9-18(10-8-17)25(28)29)22(21)26(32)31(23)14-16-5-11-19(27)12-6-16/h5-12,15,20-24H,3-4,13-14H2,1-2H3,(H3,28,29)/t20-,21-,22-,23+,24-/m0/s1
InChI key： LVAIBFBNGXNDPW-NLPWIYRPSA-N
SMILES： CC(C)[C@@H]1[C@H]2[C@@H]3CCCN3[C@H]([C@H]2C(=O)N1Cc1ccc(Cl)cc1)c1ccc(cc1)C(=N)N
Systematic name  (3)：
  • (3aα,3bβ,7aα)-3α-イソプロピル-2-(4-クロロベンジル)-7β-(4-アミジノフェニル)デカヒドロ-2,6a-ジアザ-6aH-シクロペンタ[a]ペンタレン-1-オン
  • 4-[(1R,3aS,4R,8aS,8bR)-2-[(4-クロロフェニル)メチル]-3-オキソ-1-(プロパン-2-イル)-デカヒドロピロロ[3,4-a]ピロリジン-4-イル]ベンゼン-1-カルボキシミドアミド
  • 4-[(1R,3aS,4R,8aS,8bR)-2-[(4-chlorophenyl)methyl]-3-oxo-1-(propan-2-yl)-decahydropyrrolo[3,4-a]pyrrolizin-4-yl]benzene-1-carboximidamide
Other name (1)：
  • (3aα,3bβ,7aα)-3α-Isopropyl-2-(4-chlorobenzyl)-7β-(4-amidinophenyl)decahydro-2,6a-diaza-6aH-cyclopenta[a]pentalene-1-one
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