Chem
J-GLOBAL ID：200907020142476542   Nikkaji number：J1.241.377G

4-[[(8S)-[6-(2-Chlorophenyl)-8,9-dihydro-1-methyl-4H,7H-cyclopenta[4,5]thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepine]-8α-yl]carbonyl]morpholine

4-[[(8S)-[6-(2-クロロフェニル)-8,9-ジヒドロ-1-メチル-4H,7H-シクロペンタ[4,5]チエノ[3,2-f][1,2,4]トリアゾロ[4,3-a][1,4]ジアゼピン]-8α-イル]カルボニル]モルホリン
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： C23H22ClN5O2S
Molecular formula furigana： C23-H22-CL-N5-O2-S
Molecular weight： 467.970
InChI： InChI=1S/C23H22ClN5O2S/c1-13-26-27-19-12-25-21(15-4-2-3-5-17(15)24)20-16-10-14(11-18(16)32-23(20)29(13)19)22(30)28-6-8-31-9-7-28/h2-5,14H,6-12H2,1H3/t14-/m0/s1
InChI key： FWYVRZOREBYLCY-AWEZNQCLSA-N
SMILES： Cc1nnc2CN=C(c3c4C[C@@H](Cc4sc3n12)C(=O)N1CCOCC1)c1ccccc1Cl
Systematic name  (3)：
  • 4-[[(8S)-[6-(2-クロロフェニル)-8,9-ジヒドロ-1-メチル-4H,7H-シクロペンタ[4,5]チエノ[3,2-f][1,2,4]トリアゾロ[4,3-a][1,4]ジアゼピン]-8α-イル]カルボニル]モルホリン
  • (13S)-9-(2-クロロフェニル)-3-メチル-13-(モルホリン-4-カルボニル)-16-チア-2,4,5,8-テトラアザテトラシクロ[8.6.0.02,6.011,15]ヘキサデカ-1(10),3,5,8,11(15)-ペンタエン
  • (13S)-9-(2-chlorophenyl)-3-methyl-13-(morpholine-4-carbonyl)-16-thia-2,4,5,8-tetraazatetracyclo[8.6.0.02,6.011,15]hexadeca-1(10),3,5,8,11(15)-pentaene
Other name (1)：
  • 4-[[(8S)-[6-(2-Chlorophenyl)-8,9-dihydro-1-methyl-4H,7H-cyclopenta[4,5]thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepine]-8α-yl]carbonyl]morpholine
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