Chem
J-GLOBAL ID：201607006568280486   Nikkaji number：J3.517.231I

[4-(5-Chlorobenzoxazole-2-yl)hexahydro-7-methyl-1H-1,4-diazepine-1-yl][2-(2H-1,2,3-triazole-2-yl)-5-methylphenyl] ketone

5-クロロ-2-{5-メチル-4-[5-メチル-2-(2H-1,2,3-トリアゾール-2-イル)ベンゾイル]-1,4-ジアゼパン-1-イル}-1,3-ベンゾオキサゾール
Substance type：
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
Molecular formula： C23H23ClN6O2
Molecular formula furigana： C23-H23-CL-N6-O2
Molecular weight： 450.930
InChI： InChI=1S/C23H23ClN6O2/c1-15-3-5-20(30-25-8-9-26-30)18(13-15)22(31)29-12-11-28(10-7-16(29)2)23-27-19-14-17(24)4-6-21(19)32-23/h3-6,8-9,13-14,16H,7,10-12H2,1-2H3
InChI key： JYTNQNCOQXFQPK-UHFFFAOYSA-N
SMILES： CC1CCN(CCN1C(=O)c1cc(C)ccc1n1nccn1)c1nc2cc(Cl)ccc2o1
Systematic name  (3)：
  • [4-(5-クロロベンゾオキサゾール-2-イル)ヘキサヒドロ-7-メチル-1H-1,4-ジアゼピン-1-イル][2-(2H-1,2,3-トリアゾール-2-イル)-5-メチルフェニル]ケトン
  • 5-クロロ-2-{5-メチル-4-[5-メチル-2-(2H-1,2,3-トリアゾール-2-イル)ベンゾイル]-1,4-ジアゼパン-1-イル}-1,3-ベンゾオキサゾール
  • 5-chloro-2-{5-methyl-4-[5-methyl-2-(2H-1,2,3-triazol-2-yl)benzoyl]-1,4-diazepan-1-yl}-1,3-benzoxazole
Other name (1)：
  • [4-(5-Chlorobenzoxazole-2-yl)hexahydro-7-methyl-1H-1,4-diazepine-1-yl][2-(2H-1,2,3-triazole-2-yl)-5-methylphenyl] ketone
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