Chem
J-GLOBAL ID:200907002105840481   Nikkaji number:J431.043H

(2S)-1,2,4,5,6,8-Hexahydro-5α-hydroxymethyl-1-methyl-2β-(2-propenyl)-3H-pyrrolo[4,3,2-gh]-1,4-benzodiazonin-3-one

(2S)-1,2,4,5,6,8-ヘキサヒドロ-5α-ヒドロキシメチル-1-メチル-2β-(2-プロペニル)-3H-ピロロ[4,3,2-gh]-1,4-ベンゾジアゾニン-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: C17H21N3O2
Molecular formula furigana: C17-H21-N3-O2
Molecular weight: 299.374
InChI: InChI=1S/C17H21N3O2/c1-3-5-15-17(22)19-12(10-21)8-11-9-18-13-6-4-7-14(16(11)13)20(15)2/h3-4,6-7,9,12,15,18,21H,1,5,8,10H2,2H3,(H,19,22)/t12-,15-/m0/s1
InChI key: IOHHQNFROJKPFF-WFASDCNBSA-N
SMILES: CN1[C@@H](CC=C)C(=O)N[C@H](CO)Cc2c[nH]c3cccc1c23
Systematic name  (3):
  • (2S)-1,2,4,5,6,8-ヘキサヒドロ-5α-ヒドロキシメチル-1-メチル-2β-(2-プロペニル)-3H-ピロロ[4,3,2-gh]-1,4-ベンゾジアゾニン-3-オン
  • (10S,13S)-13-(ヒドロキシメチル)-9-メチル-10-(プロパ-2-エン-1-イル)-3,9,12-トリアザトリシクロ[6.6.1.04,15]ペンタデカ-1,4,6,8(15)-テトラエン-11-オン
  • (10S,13S)-13-(hydroxymethyl)-9-methyl-10-(prop-2-en-1-yl)-3,9,12-triazatricyclo[6.6.1.04,15]pentadeca-1,4,6,8(15)-tetraen-11-one
Other name (1):
  • (2S)-1,2,4,5,6,8-Hexahydro-5α-hydroxymethyl-1-methyl-2β-(2-propenyl)-3H-pyrrolo[4,3,2-gh]-1,4-benzodiazonin-3-one
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