Chem
J-GLOBAL ID：200907051407448298   Nikkaji number：J1.514.079H

(5S,8aα)-3,3,7-Trimethyl-4-oxo-5α-benzylhexahydro-1H,3H-2-oxa-3a,6-diazaazulene-7β-carbonitrile

(5S,8aα)-3,3,7-トリメチル-4-オキソ-5α-ベンジルヘキサヒドロ-1H,3H-2-オキサ-3a,6-ジアザアズレン-7β-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： C18H23N3O2
Molecular formula furigana： C18-H23-N3-O2
Molecular weight： 313.401
InChI： InChI=1S/C18H23N3O2/c1-17(2)21-14(11-23-17)10-18(3,12-19)20-15(16(21)22)9-13-7-5-4-6-8-13/h4-8,14-15,20H,9-11H2,1-3H3/t14-,15-,18+/m0/s1
InChI key： CMAOUUGNMJXZRI-RLFYNMQTSA-N
SMILES： CC1(C)OC[C@@H]2C[C@@](C)(N[C@@H](Cc3ccccc3)C(=O)N12)C#N
Systematic name  (3)：
  • (5S,8aα)-3,3,7-トリメチル-4-オキソ-5α-ベンジルヘキサヒドロ-1H,3H-2-オキサ-3a,6-ジアザアズレン-7β-カルボニトリル
  • (6S,8R,9aS)-6-ベンジル-3,3,8-トリメチル-5-オキソ-オクタヒドロ-[1,3]オキサゾロ[3,4-d][1,4]ジアゼピン-8-カルボニトリル
  • (6S,8R,9aS)-6-benzyl-3,3,8-trimethyl-5-oxo-octahydro-[1,3]oxazolo[3,4-d][1,4]diazepine-8-carbonitrile
Other name (1)：
  • (5S,8aα)-3,3,7-Trimethyl-4-oxo-5α-benzylhexahydro-1H,3H-2-oxa-3a,6-diazaazulene-7β-carbonitrile
Thsaurus map：
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