Chem
J-GLOBAL ID：200907000731243476   Nikkaji number：J1.852.391D

(3aR)-1,2,3,8,9,14bβ-Hexahydro-4H-cyclopenta[a][1,3]dioxolo[4,5-h]pyrrolo[2,1-b][3]benzazepine-6(5H)-one

8,9-(メチレンジオキシ)-11α,11aα-トリメチレン-1,2,5,6,11,11a-ヘキサヒドロ-3H-ピロロ[2,1-b][3]ベンゾアゼピン-3-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： C17H19NO3
Molecular formula furigana： C17-H19-N-O3
Molecular weight： 285.343
InChI： InChI=1S/C17H19NO3/c19-16-3-6-17-5-1-2-13(17)12-9-15-14(20-10-21-15)8-11(12)4-7-18(16)17/h8-9,13H,1-7,10H2/t13-,17+/m0/s1
InChI key： RRTYRAVOVXGTSV-SUMWQHHRSA-N
SMILES： O=C1CC[C@]23CCC[C@H]2c2cc4OCOc4cc2CCN13
Systematic name  (4)：
  • (3aR)-1,2,3,8,9,14bβ-ヘキサヒドロ-4H-シクロペンタ[a][1,3]ジオキソロ[4,5-h]ピロロ[2,1-b][3]ベンゾアゼピン-6(5H)-オン
  • 8,9-(メチレンジオキシ)-11α,11aα-トリメチレン-1,2,5,6,11,11a-ヘキサヒドロ-3H-ピロロ[2,1-b][3]ベンゾアゼピン-3-オン
  • (2S,6R)-16,18-ジオキサ-10-アザペンタシクロ[11.7.0.02,6.06,10.015,19]イコサ-1(20),13,15(19)-トリエン-9-オン
  • (2S,6R)-16,18-dioxa-10-azapentacyclo[11.7.0.02,6.06,10.015,19]icosa-1(20),13,15(19)-trien-9-one
Other name (2)：
  • (3aR)-1,2,3,8,9,14bβ-Hexahydro-4H-cyclopenta[a][1,3]dioxolo[4,5-h]pyrrolo[2,1-b][3]benzazepine-6(5H)-one
  • 8,9-(Methylenedioxy)-11α,11aα-trimethylene-1,2,5,6,11,11a-hexahydro-3H-pyrrolo[2,1-b][3]benzazepine-3-one
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