Chem
J-GLOBAL ID：201707013791675151   Nikkaji number：J3.531.710D

5-Chloro-2-[(5R)-5-methyl-4-[5-methyl-2-[(4,5-3H2)-2H-1,2,3-triazole-2-yl](3,4-3H2)benzoyl]-hexahydro-1H-1,4-diazepine-1-yl]-benzoxazole

5-クロロ-2-[(5R)-5-メチル-4-{5-メチル-2-[(4,5-3H2)-2H-1,2,3-トリアゾール-2-イル](3,4-3H2)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： C23H19[3H]4ClN6O2
Molecular formula furigana： C23-H23-CL-N6-O2
Molecular weight： 458.960
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/t16-/m1/s1/i3T,5T,8T,9T
InChI key： JYTNQNCOQXFQPK-XLQVUPJNSA-N
SMILES： c1([3H])nn(nc1[3H])c1c([3H])c([3H])c(C)cc1C(=O)N1CCN(CC[C@H]1C)c1nc2cc(Cl)ccc2o1
Systematic name  (3)：
  • 5-クロロ-2-[(5R)-5-メチル-4-[5-メチル-2-[(4,5-3H2)-2H-1,2,3-トリアゾール-2-イル](3,4-3H2)ベンゾイル]-ヘキサヒドロ-1H-1,4-ジアゼピン-1-イル]-ベンゾオキサゾール
  • 5-クロロ-2-[(5R)-5-メチル-4-{5-メチル-2-[(4,5-3H2)-2H-1,2,3-トリアゾール-2-イル](3,4-3H2)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-[(5R)-5-methyl-4-{5-methyl-2-[(4,5-3H2)-2H-1,2,3-triazol-2-yl](3,4-3H2)benzoyl}-1,4-diazepan-1-yl]-1,3-benzoxazole
Other name (1)：
  • 5-Chloro-2-[(5R)-5-methyl-4-[5-methyl-2-[(4,5-3H2)-2H-1,2,3-triazole-2-yl](3,4-3H2)benzoyl]-hexahydro-1H-1,4-diazepine-1-yl]-benzoxazole
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