Chem
J-GLOBAL ID：200907013392529777
Nikkaji number：J729.010A
(3aα,7aα)-2-Benzyl-6α-methyloctahydro-1H-isoindole-4-one
(3aα,7aα)-2-ベンジル-6α-メチルオクタヒドロ-1H-イソインドール-4-オン
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： C16H21NO
Molecular formula furigana： C16-H21-N-O
Molecular weight： 243.350
InChI：
InChI=1S/C16H21NO/c1-12-7-14-10-17(11-15(14)16(18)8-12)9-13-5-3-2-4-6-13/h2-6,12,14-15H,7-11H2,1H3/t12-,14+,15-/m1/s1
InChI key：
NQUNYRGERYQHAM-VHDGCEQUSA-N
SMILES：
C[C@@H]1C[C@H]2CN(Cc3ccccc3)C[C@H]2C(=O)C1
Systematic name (4)：
- (3aα,7aα)-2-ベンジル-6α-メチルテトラヒドロイソインドリン-4(5H)-オン
- (3aα,7aα)-2-ベンジル-6α-メチルオクタヒドロ-1H-イソインドール-4-オン
- (3aS,6R,7aR)-2-ベンジル-6-メチル-オクタヒドロ-1H-イソインドール-4-オン
- (3aS,6R,7aR)-2-benzyl-6-methyl-octahydro-1H-isoindol-4-one
- (3aα,7aα)-2-Benzyl-6α-methyltetrahydroisoindolin-4(5H)-one
- (3aα,7aα)-2-Benzyl-6α-methyloctahydro-1H-isoindole-4-one
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