Chem
J-GLOBAL ID：200907069877701816
Nikkaji number：J1.514.080A
(3S,8aα)-2-Oxo-3α-benzyloctahydro-2H-1,4-benzoxazine-4aβ-carbonitrile
(3S,8aα)-2-オキソ-3α-ベンジルオクタヒドロ-2H-1,4-ベンゾオキサジン-4aβ-カルボニトリル
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
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
Molecular formula： C16H18N2O2
Molecular formula furigana： C16-H18-N2-O2
Molecular weight： 270.332
InChI：
InChI=1S/C16H18N2O2/c17-11-16-9-5-4-8-14(16)20-15(19)13(18-16)10-12-6-2-1-3-7-12/h1-3,6-7,13-14,18H,4-5,8-10H2/t13-,14+,16-/m0/s1
InChI key：
BHPGXTNJQARBFZ-LZWOXQAQSA-N
SMILES：
O=C1O[C@@H]2CCCC[C@]2(N[C@H]1Cc1ccccc1)C#N
Systematic name (4)：
- (3S,8aα)-2-オキソ-3α-ベンジルオクタヒドロ-2H-1,4-ベンゾオキサジン-4aβ-カルボニトリル
- (3S,5S,6R)-3α-ベンジル-3,4,5,6-テトラヒドロ-5β-シアノ-5,6β-ブタノ-2H-1,4-オキサジン-2-オン
- (3S,4aS,8aR)-3-ベンジル-2-オキソ-オクタヒドロ-2H-1,4-ベンゾオキサジン-4a-カルボニトリル
- (3S,4aS,8aR)-3-benzyl-2-oxo-octahydro-2H-1,4-benzoxazine-4a-carbonitrile
- (3S,8aα)-2-Oxo-3α-benzyloctahydro-2H-1,4-benzoxazine-4aβ-carbonitrile
- (3S,5S,6R)-3α-Benzyl-3,4,5,6-tetrahydro-5β-cyano-5,6β-butano-2H-1,4-oxazine-2-one
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