Chem
J-GLOBAL ID:200907001191017630   Nikkaji number:J1.703.166J

9β,10β-[1-(1H-Benzotriazole-5-yl)-2,5-dioxopyrrolidine-3,4-diyl]-9,10-dihydroanthracene-9-methanol

9β,10β-[1-(1H-ベンゾトリアゾール-5-イル)-2,5-ジオキソピロリジン-3,4-ジイル]-9,10-ジヒドロアントラセン-9-メタノール
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: C25H18N4O3
Molecular formula furigana: C25-H18-N4-O3
Molecular weight: 422.444
InChI: InChI=1S/C25H18N4O3/c30-12-25-16-7-3-1-5-14(16)20(15-6-2-4-8-17(15)25)21-22(25)24(32)29(23(21)31)13-9-10-18-19(11-13)27-28-26-18/h1-11,20-22,30H,12H2,(H,26,27,28)/t20-,21?,22?,25-
InChI key: LYTNRGSQCWYSPQ-FYPLRVNDSA-N
SMILES: OC[C@]12C3C([C@@H](c4ccccc14)c1ccccc21)C(=O)N(C3=O)c1ccc2[nH]nnc2c1
Systematic name  (3):
  • 9β,10β-[1-(1H-ベンゾトリアゾール-5-イル)-2,5-ジオキソピロリジン-3,4-ジイル]-9,10-ジヒドロアントラセン-9-メタノール
  • (1r)-17-(1H-1,2,3-ベンゾトリアゾール-5-イル)-1-(ヒドロキシメチル)-17-アザペンタシクロ[6.6.5.02,7.09,14.015,19]ノナデカ-2,4,6,9,11,13-ヘキサエン-16,18-ジオン
  • (1r)-17-(1H-1,2,3-benzotriazol-5-yl)-1-(hydroxymethyl)-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
Other name (1):
  • 9β,10β-[1-(1H-Benzotriazole-5-yl)-2,5-dioxopyrrolidine-3,4-diyl]-9,10-dihydroanthracene-9-methanol
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