Chem
J-GLOBAL ID：200907003838546713
Nikkaji number：J2.659.434K
(1α,5α)-2α,6α-Bis(2-chlorophenyl)-3,7-diazatricyclo[4.2.0.02,5]octane-4,8-dione
(1α,5α)-2α,6α-ビス(2-クロロフェニル)-3,7-ジアザトリシクロ[4.2.0.02,5]オクタン-4,8-ジオン
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： C18H12Cl2N2O2
Molecular formula furigana： C18-H12-CL2-N2-O2
Molecular weight： 359.210
InChI：
InChI=1S/C18H12Cl2N2O2/c19-11-7-3-1-5-9(11)17-13(15(23)21-17)18(14(17)16(24)22-18)10-6-2-4-8-12(10)20/h1-8,13-14H,(H,21,23)(H,22,24)/t13-,14+,17+,18-/m0/s1
InChI key：
VRQFGBPQDIGGJO-JFTQMJAMSA-N
SMILES：
Clc1ccccc1[C@@]12NC(=O)[C@@H]1[C@@]1(NC(=O)[C@H]21)c1ccccc1Cl
Systematic name (3)：
- (1α,5α)-2α,6α-ビス(2-クロロフェニル)-3,7-ジアザトリシクロ[4.2.0.02,5]オクタン-4,8-ジオン
- (1R,2s,5S,6R)-2,6-ビス(2-クロロフェニル)-3,7-ジアザトリシクロ[4.2.0.02,5]オクタン-4,8-ジオン
- (1R,2s,5S,6R)-2,6-bis(2-chlorophenyl)-3,7-diazatricyclo[4.2.0.02,5]octane-4,8-dione
- (1α,5α)-2α,6α-Bis(2-chlorophenyl)-3,7-diazatricyclo[4.2.0.02,5]octane-4,8-dione
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