Chem
J-GLOBAL ID：200907000044213605   Nikkaji number：J1.324.409J

2-(Acetylamino)-N-[(9S)-cinchonan-9-yl]benzamide

2-(アセチルアミノ)-N-[(9S)-シンコナン-9-イル]ベンズアミド
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： C28H30N4O2
Molecular formula furigana： C28-H30-N4-O2
Molecular weight： 454.574
InChI： InChI=1S/C28H30N4O2/c1-3-19-17-32-15-13-20(19)16-26(32)27(22-12-14-29-24-10-6-4-8-21(22)24)31-28(34)23-9-5-7-11-25(23)30-18(2)33/h3-12,14,19-20,26-27H,1,13,15-17H2,2H3,(H,30,33)(H,31,34)/t19-,20-,26+,27-/m0/s1
InChI key： WCTRGLORKUXPGU-BASPBRSGSA-N
SMILES： CC(=O)Nc1ccccc1C(=O)N[C@H]([C@H]1C[C@@H]2CCN1C[C@@H]2C=C)c1ccnc2ccccc12
Systematic name  (3)：
  • 2-(アセチルアミノ)-N-[(9S)-シンコナン-9-イル]ベンズアミド
  • 2-アセトアミド-N-[(S)-[(2R,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)メチル]ベンズアミド
  • 2-acetamido-N-[(S)-[(2R,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl](quinolin-4-yl)methyl]benzamide
Other name (1)：
  • 2-(Acetylamino)-N-[(9S)-cinchonan-9-yl]benzamide
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