Chem
J-GLOBAL ID:201707013791675151
Nikkaji number:J3.531.710D
5-Chloro-2-[(5R)-5-methyl-4-[5-methyl-2-[(4,5-3 H2 )-2H-1,2,3-triazole-2-yl](3,4-3 H2 )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-[(4,5-3 H2 )-2H-1,2,3-トリアゾール-2-イル](3,4-3 H2 )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
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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:
C23 H19 [3 H]4 ClN6 O2
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-[(4,5-3 H2 )-2H-1,2,3-トリアゾール-2-イル](3,4-3 H2 )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-[(4,5-3 H2 )-2H-1,2,3-トリアゾール-2-イル](3,4-3 H2 )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-[(4,5-3 H2 )-2H-1,2,3-triazol-2-yl](3,4-3 H2 )benzoyl}-1,4-diazepan-1-yl]-1,3-benzoxazole
Other name (1):
5-Chloro-2-[(5R)-5-methyl-4-[5-methyl-2-[(4,5-3 H2 )-2H-1,2,3-triazole-2-yl](3,4-3 H2 )benzoyl]-hexahydro-1H-1,4-diazepine-1-yl]-benzoxazole
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