Chem
J-GLOBAL ID：200907085695280551   Nikkaji number：J1.668.027C

(5S)-1,3-Dioxo-2-phenyl-5β-(trimethylsilyl)-8β-hexyl-2,3,5,8-tetrahydro-1H-[1,2,4]triazolo[1,2-a]pyridazine-6-carboxylic acid 2-phenylcyclohexane-1-yl ester

2-フェニルシクロヘキシル (5S,8R)-8-ヘキシル-1,3-ジオキソ-2-フェニル-5-(トリメチルシリル)-1H,2H,3H,5H,8H-[1,2,4]トリアゾロ[1,2-a]ピリダジン-6-カルボキシラート
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： C34H45N3O4Si
Molecular formula furigana： C34-H45-N3-O4-SI
Molecular weight： 587.836
InChI： InChI=1S/C34H45N3O4Si/c1-5-6-7-12-21-27-24-29(32(38)41-30-23-16-15-22-28(30)25-17-10-8-11-18-25)31(42(2,3)4)37-34(40)35(33(39)36(27)37)26-19-13-9-14-20-26/h8-11,13-14,17-20,24,27-28,30-31H,5-7,12,15-16,21-23H2,1-4H3/t27-,28?,30?,31+/m1/s1
InChI key： OQXOSTKLTIWJKJ-RFVAEIDDSA-N
SMILES： CCCCCC[C@@H]1C=C([C@@H](n2n1c(=O)n(c1ccccc1)c2=O)[Si](C)(C)C)C(=O)OC1CCCCC1c1ccccc1
Systematic name  (3)：
  • (5S)-1,3-ジオキソ-2-フェニル-5β-(トリメチルシリル)-8β-ヘキシル-2,3,5,8-テトラヒドロ-1H-[1,2,4]トリアゾロ[1,2-a]ピリダジン-6-カルボン酸2-フェニルシクロヘキサン-1-イル
  • 2-フェニルシクロヘキシル (5S,8R)-8-ヘキシル-1,3-ジオキソ-2-フェニル-5-(トリメチルシリル)-1H,2H,3H,5H,8H-[1,2,4]トリアゾロ[1,2-a]ピリダジン-6-カルボキシラート
  • 2-phenylcyclohexyl (5S,8R)-8-hexyl-1,3-dioxo-2-phenyl-5-(trimethylsilyl)-1H,2H,3H,5H,8H-[1,2,4]triazolo[1,2-a]pyridazine-6-carboxylate
Other name (1)：
  • (5S)-1,3-Dioxo-2-phenyl-5β-(trimethylsilyl)-8β-hexyl-2,3,5,8-tetrahydro-1H-[1,2,4]triazolo[1,2-a]pyridazine-6-carboxylic acid 2-phenylcyclohexane-1-yl ester
Thsaurus map：
Thesaurus Map

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