Chem
J-GLOBAL ID：200907002847846030   Nikkaji number：J2.732.086D

(5aS)-14aα-(1,1-Dimethyl-2-propenyl)-5aα,13aα,14,14a-tetrahydroindolo[3′,2′:4,5]pyrrolo[2,1-c][1,4]benzodiazepine-7,13(5H,12H)-dione

(5aS)-14aα-(1,1-ジメチル-2-プロペニル)-5aα,13aα,14,14a-テトラヒドロインドロ[3′,2′:4,5]ピロロ[2,1-c][1,4]ベンゾジアゼピン-7,13(5H,12H)-ジオン
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： C23H23N3O2
Molecular formula furigana： C23-H23-N3-O2
Molecular weight： 373.456
InChI： InChI=1S/C23H23N3O2/c1-4-22(2,3)23-13-18-19(27)24-16-11-7-5-9-14(16)20(28)26(18)21(23)25-17-12-8-6-10-15(17)23/h4-12,18,21,25H,1,13H2,2-3H3,(H,24,27)/t18-,21+,23-/m1/s1
InChI key： AVLMMDWEIUEKEK-RZFNWQHOSA-N
SMILES： CC(C)(C=C)[C@@]12C[C@H]3N([C@@H]1Nc1ccccc21)C(=O)c1ccccc1NC3=O
Systematic name  (3)：
  • (5aS)-14aα-(1,1-ジメチル-2-プロペニル)-5aα,13aα,14,14a-テトラヒドロインドロ[3′,2′:4,5]ピロロ[2,1-c][1,4]ベンゾジアゼピン-7,13(5H,12H)-ジオン
  • (2S,10R,12R)-10-(2-メチルブタ-3-エン-2-イル)-1,3,14-トリアザペンタシクロ[10.9.0.02,10.04,9.015,20]ヘンイコサ-4,6,8,15,17,19-ヘキサエン-13,21-ジオン
  • (2S,10R,12R)-10-(2-methylbut-3-en-2-yl)-1,3,14-triazapentacyclo[10.9.0.02,10.04,9.015,20]henicosa-4,6,8,15,17,19-hexaene-13,21-dione
Other name (1)：
  • (5aS)-14aα-(1,1-Dimethyl-2-propenyl)-5aα,13aα,14,14a-tetrahydroindolo[3′,2′:4,5]pyrrolo[2,1-c][1,4]benzodiazepine-7,13(5H,12H)-dione
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