Chem
J-GLOBAL ID：200907064852864620   Nikkaji number：J2.626.762E

E-5555

E-5555
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： C29H38FN3O5
Molecular formula furigana： C29-H38-F-N3-O5
Molecular weight： 527.637
InChI： InChI=1S/C29H38FN3O5/c1-7-37-23-15-19-16-33(28(31)24(19)25(30)27(23)38-8-2)17-22(34)18-13-20(29(3,4)5)26(35-6)21(14-18)32-9-11-36-12-10-32/h13-15,31H,7-12,16-17H2,1-6H3
InChI key： QWKAUGRRIXBIPO-UHFFFAOYSA-N
SMILES： CCOc1cc2CN(CC(=O)c3cc(N4CCOCC4)c(OC)c(c3)C(C)(C)C)C(=N)c2c(F)c1OCC
Systematic name  (3)：
  • 2-(5,6-ジエトキシ-7-フルオロ-1,3-ジヒドロ-1-イミノ-2H-イソインドール-2-イル)-1-(3-tert-ブチル-4-メトキシ-5-モルホリノフェニル)エタノン
  • 1-[3-tert-ブチル-4-メトキシ-5-(モルホリン-4-イル)フェニル]-2-(5,6-ジエトキシ-7-フルオロ-1-イミノ-2,3-ジヒドロ-1H-イソインドール-2-イル)エタン-1-オン
  • 1-[3-tert-butyl-4-methoxy-5-(morpholin-4-yl)phenyl]-2-(5,6-diethoxy-7-fluoro-1-imino-2,3-dihydro-1H-isoindol-2-yl)ethan-1-one
Other name (7)：
  • 2-(5,6-Diethoxy-7-fluoro-1,3-dihydro-1-imino-2H-isoindole-2-yl)-1-(3-tert-butyl-4-methoxy-5-morpholinophenyl)ethanone
  • E-5555
  • アトパキサール
  • Atopaxar
  • アトパキサー
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CAS registry number： 751475-53-3
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