Chem
J-GLOBAL ID：200907036795186489   Nikkaji number：J1.398.381J

(1S)-1α,3α,5α-Trimethyl-5,3-(carbonyliminomethylene)-1-(5,6-butanobenzoxazole-2-yl)cyclohexane

(1S)-1α,3α,5α-トリメチル-5,3-(カルボニルイミノメチレン)-1-(5,6-ブタノベンゾオキサゾール-2-イル)シクロヘキサン
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： C22H28N2O2
Molecular formula furigana： C22-H28-N2-O2
Molecular weight： 352.478
InChI： InChI=1S/C22H28N2O2/c1-20-10-21(2,18(25)23-13-20)12-22(3,11-20)19-24-16-8-14-6-4-5-7-15(14)9-17(16)26-19/h8-9H,4-7,10-13H2,1-3H3,(H,23,25)/t20-,21+,22-/m0/s1
InChI key： OPOYSJNBRWSBCV-BDTNDASRSA-N
SMILES： C[C@]12CNC(=O)[C@](C)(C1)C[C@](C)(C2)c1nc2cc3CCCCc3cc2o1
Systematic name  (8)：
  • (1S)-1α,3α,5α-トリメチル-5,3-(カルボニルイミノメチレン)-1-(5,6-ブタノベンゾオキサゾール-2-イル)シクロヘキサン
  • (1R)-1α,5α,7-トリメチル-7α-(5,6,7,8-テトラヒドロナフト[2,3-d]オキサゾール-2-イル)-3-アザビシクロ[3.3.1]ノナン-2-オン
  • (1R,5R,7S)-7-(5,6,7,8-テトラヒドロナフト[2,3-d]オキサゾール-2-イル)-1,5,7-トリメチル-3-アザビシクロ[3.3.1]ノナン-2-オン
  • 1-(5,6,7,8-テトラヒドロナフト[2,3-d]オキサゾール-2-イル)-3,5-(メチレンイミノカルボニル)-1α,3α,5α-トリメチルシクロヘキサン
  • (1R)-1α,5α,7β-トリメチル-7-(5,6,7,8-テトラヒドロナフト[2,3-d]オキサゾール-2-イル)-3-アザビシクロ[3.3.1]ノナン-2-オン
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Other name (6)：
  • (1S)-1α,3α,5α-Trimethyl-5,3-(carbonyliminomethylene)-1-(5,6-butanobenzoxazole-2-yl)cyclohexane
  • (1R)-1α,5α,7-Trimethyl-7α-(5,6,7,8-tetrahydronaphtho[2,3-d]oxazole-2-yl)-3-azabicyclo[3.3.1]nonane-2-one
  • (1R,5R,7S)-7-(5,6,7,8-Tetrahydronaphtho[2,3-d]oxazole-2-yl)-1,5,7-trimethyl-3-azabicyclo[3.3.1]nonane-2-one
  • 1-(5,6,7,8-Tetrahydronaphtho[2,3-d]oxazole-2-yl)-3,5-(methyleneiminocarbonyl)-1α,3α,5α-trimethylcyclohexane
  • (1R)-1α,5α,7β-Trimethyl-7-(5,6,7,8-tetrahydronaphtho[2,3-d]oxazole-2-yl)-3-azabicyclo[3.3.1]nonane-2-one
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