Chem
J-GLOBAL ID：200907083047307379   Nikkaji number：J1.324.395F

N-[(9S)-Cinchonan-9-yl]-1H-indole-2-carboxamide

N-[(9S)-シンコナン-9-イル]-1H-インドール-2-カルボアミド
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： C28H28N4O
Molecular formula furigana： C28-H28-N4-O
Molecular weight： 436.559
InChI： InChI=1S/C28H28N4O/c1-2-18-17-32-14-12-19(18)16-26(32)27(22-11-13-29-24-10-6-4-8-21(22)24)31-28(33)25-15-20-7-3-5-9-23(20)30-25/h2-11,13,15,18-19,26-27,30H,1,12,14,16-17H2,(H,31,33)/t18-,19-,26+,27-/m0/s1
InChI key： OPXMBIHIJZVHJA-QJTMEEEXSA-N
SMILES： C=C[C@H]1CN2CC[C@H]1C[C@@H]2[C@@H](NC(=O)c1cc2ccccc2[nH]1)c1ccnc2ccccc12
Systematic name  (3)：
  • N-[(9S)-シンコナン-9-イル]-1H-インドール-2-カルボアミド
  • 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]-1H-インドール-2-カルボキサミド
  • N-[(S)-[(2R,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl](quinolin-4-yl)methyl]-1H-indole-2-carboxamide
Other name (1)：
  • N-[(9S)-Cinchonan-9-yl]-1H-indole-2-carboxamide
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