Chem
J-GLOBAL ID:200907003299927805   Nikkaji number:J2.676.481E

(8S,9R)-9-(4-Chlorophthalazine-1-yloxy)cinchonan

(8S,9R)-9-(4-クロロフタラジン-1-イルオキシ)シンコナン
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: C27H25ClN4O
Molecular formula furigana: C27-H25-CL-N4-O
Molecular weight: 456.970
InChI: InChI=1S/C27H25ClN4O/c1-2-17-16-32-14-12-18(17)15-24(32)25(20-11-13-29-23-10-6-5-7-19(20)23)33-27-22-9-4-3-8-21(22)26(28)30-31-27/h2-11,13,17-18,24-25H,1,12,14-16H2/t17-,18-,24-,25+/m0/s1
InChI key: AQQADZCXNLJNAP-AMIJONBRSA-N
SMILES: Clc1nnc(O[C@@H]([C@@H]2C[C@@H]3CCN2C[C@@H]3C=C)c2ccnc3ccccc23)c2ccccc12
Systematic name  (3):
  • (8S,9R)-9-(4-クロロフタラジン-1-イルオキシ)シンコナン
  • 1-クロロ-4-[(R)-[(2S,4S,5R)-5-エテニル-1-アザビシクロ[2.2.2]オクタン-2-イル](キノリン-4-イル)メトキシ]フタラジン
  • 1-chloro-4-[(R)-[(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl](quinolin-4-yl)methoxy]phthalazine
Other name (1):
  • (8S,9R)-9-(4-Chlorophthalazine-1-yloxy)cinchonan
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