Chem
J-GLOBAL ID：200907002453287362   Nikkaji number：J1.134.653G

(1R,6S,7S,8R,9S)-2,8-Diphenyl-6-pyrrolizino-7,10,10-trimethyl-3,4-diazatricyclo[7.1.0.04,8]deca-2-ene-5,5-dicarbonitrile

(1R,6S,7S,8R,9S)-2,8-ジフェニル-6-ピロリジノ-7,10,10-トリメチル-3,4-ジアザトリシクロ[7.1.0.04,8]デカ-2-エン-5,5-ジカルボニトリル
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： C29H31N5
Molecular formula furigana： C29-H31-N5
Molecular weight： 449.602
InChI： InChI=1S/C29H31N5/c1-20-26(33-16-10-11-17-33)28(18-30,19-31)34-29(20,22-14-8-5-9-15-22)25-23(27(25,2)3)24(32-34)21-12-6-4-7-13-21/h4-9,12-15,20,23,25-26H,10-11,16-17H2,1-3H3/t20-,23+,25-,26-,29+/m0/s1
InChI key： AAWXRBJEKBNACY-PUGACXKFSA-N
SMILES： C[C@H]1[C@H](N2CCCC2)C(C#N)(C#N)N2N=C([C@@H]3[C@@H](C3(C)C)[C@]12c1ccccc1)c1ccccc1
Systematic name  (3)：
  • (1R,6S,7S,8R,9S)-2,8-ジフェニル-6-ピロリジノ-7,10,10-トリメチル-3,4-ジアザトリシクロ[7.1.0.04,8]デカ-2-エン-5,5-ジカルボニトリル
  • (1R,2S,4R,9S,10S)-3,3,10-トリメチル-1,5-ジフェニル-9-(ピロリジン-1-イル)-6,7-ジアザトリシクロ[5.3.0.02,4]デカ-5-エン-8,8-ジカルボニトリル
  • (1R,2S,4R,9S,10S)-3,3,10-trimethyl-1,5-diphenyl-9-(pyrrolidin-1-yl)-6,7-diazatricyclo[5.3.0.02,4]dec-5-ene-8,8-dicarbonitrile
Other name (1)：
  • (1R,6S,7S,8R,9S)-2,8-Diphenyl-6-pyrrolizino-7,10,10-trimethyl-3,4-diazatricyclo[7.1.0.04,8]deca-2-ene-5,5-dicarbonitrile
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