Chem
J-GLOBAL ID：200907051727945079
Nikkaji number：J2.028.106E
3,3-Dimethyl-6-(4-fluorobenzoyl)-8-(4-chlorophenylazo)-6,7-diazabicyclo[3.2.1]octa-1(7),5(8)-diene
3,3-ジメチル-6-(4-フルオロベンゾイル)-8-(4-クロロフェニルアゾ)-6,7-ジアザビシクロ[3.2.1]オクタ-1(7),5(8)-ジエン
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： C21H18ClFN4O
Molecular formula furigana： C21-H18-CL-F-N4-O
Molecular weight： 396.850
InChI：
InChI=1S/C21H18ClFN4O/c1-21(2)11-17-19(25-24-16-9-5-14(22)6-10-16)18(12-21)27(26-17)20(28)13-3-7-15(23)8-4-13/h3-10H,11-12H2,1-2H3
InChI key：
GBLCSZPIFNXHTO-UHFFFAOYSA-N
SMILES：
CC1(C)Cc2nn(C(=O)c3ccc(F)cc3)c(C1)c2N=Nc1ccc(Cl)cc1
Systematic name (3)：
- 3,3-ジメチル-6-(4-フルオロベンゾイル)-8-(4-クロロフェニルアゾ)-6,7-ジアザビシクロ[3.2.1]オクタ-1(7),5(8)-ジエン
- 8-[2-(4-クロロフェニル)ジアゼン-1-イル]-7-(4-フルオロベンゾイル)-3,3-ジメチル-6,7-ジアザビシクロ[3.2.1]オクタ-1(8),5-ジエン
- 8-[2-(4-chlorophenyl)diazen-1-yl]-7-(4-fluorobenzoyl)-3,3-dimethyl-6,7-diazabicyclo[3.2.1]octa-1(8),5-diene
- 3,3-Dimethyl-6-(4-fluorobenzoyl)-8-(4-chlorophenylazo)-6,7-diazabicyclo[3.2.1]octa-1(7),5(8)-diene
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