Chem
J-GLOBAL ID：200907024048279976
Nikkaji number：J1.019.964F
(3aβ,7aα)-1,3-Dibenzoyloctahydro-1H-benzimidazole
(3aβ,7aα)-1,3-ジベンゾイルオクタヒドロ-1H-ベンゾイミダゾール
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： C21H22N2O2
Molecular formula furigana： C21-H22-N2-O2
Molecular weight： 334.419
InChI：
InChI=1S/C21H22N2O2/c24-20(16-9-3-1-4-10-16)22-15-23(19-14-8-7-13-18(19)22)21(25)17-11-5-2-6-12-17/h1-6,9-12,18-19H,7-8,13-15H2/t18-,19-/m1/s1
InChI key：
UKOHPXRQOPWOSE-RTBURBONSA-N
SMILES：
O=C(N1CN([C@@H]2CCCC[C@@H]12)C(=O)c1ccccc1)c1ccccc1
Systematic name (3)：
- (3aβ,7aα)-1,3-ジベンゾイルオクタヒドロ-1H-ベンゾイミダゾール
- (3aR,7aR)-1,3-ジベンゾイル-オクタヒドロ-1H-1,3-ベンゾジアゾール
- (3aR,7aR)-1,3-dibenzoyl-octahydro-1H-1,3-benzodiazole
- (3aβ,7aα)-1,3-Dibenzoyloctahydro-1H-benzimidazole
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