Chem
J-GLOBAL ID：201407090945070519   Nikkaji number：J3.301.849E

6-Hydroxy-9-[2-[[4-[4-[(2-cyclooctyne-1-yl)oxy]benzoyl]-1-piperazinyl]carbonyl]phenyl]-3H-xanthene-3-one

9-(2-{4-[4-(シクロオクタ-2-イン-1-イルオキシ)ベンゾイル]ピペラジン-1-カルボニル}フェニル)-6-ヒドロキシ-3H-キサンテン-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： C39H34N2O6
Molecular formula furigana： C39-H34-N2-O6
Molecular weight： 626.709
InChI： InChI=1S/C39H34N2O6/c42-27-14-18-33-35(24-27)47-36-25-28(43)15-19-34(36)37(33)31-10-6-7-11-32(31)39(45)41-22-20-40(21-23-41)38(44)26-12-16-30(17-13-26)46-29-8-4-2-1-3-5-9-29/h6-7,10-19,24-25,29,42H,1-4,8,20-23H2
InChI key： RXASHAUUVQAXTQ-UHFFFAOYSA-N
SMILES： Oc1ccc2c(c3ccccc3C(=O)N3CCN(CC3)C(=O)c3ccc(OC4CCCCCC#C4)cc3)c3ccc(=O)cc3oc2c1
Systematic name  (3)：
  • 6-ヒドロキシ-9-[2-[[4-[4-[(2-シクロオクチン-1-イル)オキシ]ベンゾイル]-1-ピペラジニル]カルボニル]フェニル]-3H-キサンテン-3-オン
  • 9-(2-{4-[4-(シクロオクタ-2-イン-1-イルオキシ)ベンゾイル]ピペラジン-1-カルボニル}フェニル)-6-ヒドロキシ-3H-キサンテン-3-オン
  • 9-(2-{4-[4-(cyclooct-2-yn-1-yloxy)benzoyl]piperazine-1-carbonyl}phenyl)-6-hydroxy-3H-xanthen-3-one
Other name (1)：
  • 6-Hydroxy-9-[2-[[4-[4-[(2-cyclooctyne-1-yl)oxy]benzoyl]-1-piperazinyl]carbonyl]phenyl]-3H-xanthene-3-one
Thsaurus map：
Thesaurus Map

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