Chem
J-GLOBAL ID：200907075287139080   Nikkaji number：J1.514.089E

(3aα,7aα,8aα)-2,6-Dioxo-5β-benzyldecahydro-7-oxa-4-aza-1H-cyclopenta[a]indene-3bα-carbonitrile

(3aα,7aα,8aα)-2,6-ジオキソ-5β-ベンジルデカヒドロ-7-オキサ-4-アザ-1H-シクロペンタ[a]インデン-3bα-カルボニトリル
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： C18H18N2O3
Molecular formula furigana： C18-H18-N2-O3
Molecular weight： 310.353
InChI： InChI=1S/C18H18N2O3/c19-10-18-14-9-13(21)7-12(14)8-16(18)23-17(22)15(20-18)6-11-4-2-1-3-5-11/h1-5,12,14-16,20H,6-9H2/t12-,14-,15+,16+,18-/m1/s1
InChI key： RKBHINCUIMODOZ-BHOIQGAFSA-N
SMILES： O=C1C[C@@H]2C[C@@H]3OC(=O)[C@H](Cc4ccccc4)N[C@]3(C#N)[C@@H]2C1
Systematic name  (3)：
  • (3aα,7aα,8aα)-2,6-ジオキソ-5β-ベンジルデカヒドロ-7-オキサ-4-アザ-1H-シクロペンタ[a]インデン-3bα-カルボニトリル
  • (1S,2R,6S,8S,11S)-11-ベンジル-4,10-ジオキソ-9-オキサ-12-アザトリシクロ[6.4.0.02,6]ドデカン-1-カルボニトリル
  • (1S,2R,6S,8S,11S)-11-benzyl-4,10-dioxo-9-oxa-12-azatricyclo[6.4.0.02,6]dodecane-1-carbonitrile
Other name (1)：
  • (3aα,7aα,8aα)-2,6-Dioxo-5β-benzyldecahydro-7-oxa-4-aza-1H-cyclopenta[a]indene-3bα-carbonitrile
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