Chem
J-GLOBAL ID:200907002788444144   Nikkaji number:J1.089.089F

11-[[(3S)-3-(Diethylaminomethyl)-1,2,3,4-tetrahydroisoquinoline-2-yl]acetyl]-5,11-dihydro-6H-pyrido[2,3-b][1,4]benzodiazepine-6-one

11-[[(3S)-3-(ジエチルアミノメチル)-1,2,3,4-テトラヒドロイソキノリン-2-イル]アセチル]-5,11-ジヒドロ-6H-ピリド[2,3-b][1,4]ベンゾジアゼピン-6-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: C28H31N5O2
Molecular formula furigana: C28-H31-N5-O2
Molecular weight: 469.589
InChI: InChI=1S/C28H31N5O2/c1-3-31(4-2)18-22-16-20-10-5-6-11-21(20)17-32(22)19-26(34)33-25-14-8-7-12-23(25)28(35)30-24-13-9-15-29-27(24)33/h5-15,22H,3-4,16-19H2,1-2H3,(H,30,35)/t22-/m0/s1
InChI key: WIXSPCAMYNKQEX-QFIPXVFZSA-N
SMILES: CCN(CC)C[C@@H]1Cc2ccccc2CN1CC(=O)n1c2ccccc2c(=O)[nH]c2cccnc12
Systematic name  (3):
  • 11-[[(3S)-3-(ジエチルアミノメチル)-1,2,3,4-テトラヒドロイソキノリン-2-イル]アセチル]-5,11-ジヒドロ-6H-ピリド[2,3-b][1,4]ベンゾジアゼピン-6-オン
  • 2-{2-[(3S)-3-[(ジエチルアミノ)メチル]-1,2,3,4-テトラヒドロイソキノリン-2-イル]アセチル}-2,4,9-トリアザトリシクロ[9.4.0.03,8]ペンタデカ-1(15),3,5,7,11,13-ヘキサエン-10-オン
  • 2-{2-[(3S)-3-[(diethylamino)methyl]-1,2,3,4-tetrahydroisoquinolin-2-yl]acetyl}-2,4,9-triazatricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-10-one
Other name (1):
  • 11-[[(3S)-3-(Diethylaminomethyl)-1,2,3,4-tetrahydroisoquinoline-2-yl]acetyl]-5,11-dihydro-6H-pyrido[2,3-b][1,4]benzodiazepine-6-one
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