Chem
J-GLOBAL ID：201607004561625930   Nikkaji number：J3.483.045B

(1R,2α,6α,7S)-1-(4-Bromophenyl)-4-phenyl-3,5-dioxo-4,10-diazatricyclo[5.2.1.02,6]decane-7-carboxylic acid tert-butyl ester

(1R,2α,6α,7S)-1-(4-ブロモフェニル)-4-フェニル-3,5-ジオキソ-4,10-ジアザトリシクロ[5.2.1.02,6]デカン-7-カルボン酸tert-ブチル
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： C25H25BrN2O4
Molecular formula furigana： C25-H25-BR-N2-O4
Molecular weight： 497.389
InChI： InChI=1S/C25H25BrN2O4/c1-23(2,3)32-22(31)25-14-13-24(27-25,15-9-11-16(26)12-10-15)18-19(25)21(30)28(20(18)29)17-7-5-4-6-8-17/h4-12,18-19,27H,13-14H2,1-3H3/t18-,19+,24+,25+/m1/s1
InChI key： CBSFSPKQKPVIJE-DRTRNHDVSA-N
SMILES： CC(C)(C)OC(=O)[C@@]12CC[C@@](N1)([C@@H]1[C@H]2C(=O)N(C1=O)c1ccccc1)c1ccc(Br)cc1
Systematic name  (3)：
  • (1R,2α,6α,7S)-1-(4-ブロモフェニル)-4-フェニル-3,5-ジオキソ-4,10-ジアザトリシクロ[5.2.1.02,6]デカン-7-カルボン酸tert-ブチル
  • tert-ブチル (1S,2R,6S,7R)-7-(4-ブロモフェニル)-3,5-ジオキソ-4-フェニル-4,10-ジアザトリシクロ[5.2.1.02,6]デカン-1-カルボキシラート
  • tert-butyl (1S,2R,6S,7R)-7-(4-bromophenyl)-3,5-dioxo-4-phenyl-4,10-diazatricyclo[5.2.1.02,6]decane-1-carboxylate
Other name (1)：
  • (1R,2α,6α,7S)-1-(4-Bromophenyl)-4-phenyl-3,5-dioxo-4,10-diazatricyclo[5.2.1.02,6]decane-7-carboxylic acid tert-butyl ester
Thsaurus map：
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