Chem
J-GLOBAL ID:200907025124779858   Nikkaji number:J439.668E

N-[(1R,2R)-2-(2,4-Dichlorophenyl)-2-hydroxy-1-methyl-3-(1H-1,2,4-triazol-1-yl)propyl]4-cyanobenzamide

4-シアノ-N-[(2R,3R)-3-(2,4-ジクロロフェニル)-3-ヒドロキシ-4-(1H-1,2,4-トリアゾール-1-イル)ブタン-2-イル]ベンズアミド
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: C20H17Cl2N5O2
Molecular formula furigana: C20-H17-CL2-N5-O2
Molecular weight: 430.290
InChI: InChI=1S/C20H17Cl2N5O2/c1-13(26-19(28)15-4-2-14(9-23)3-5-15)20(29,10-27-12-24-11-25-27)17-7-6-16(21)8-18(17)22/h2-8,11-13,29H,10H2,1H3,(H,26,28)/t13-,20-/m1/s1
InChI key: INTSTWYXFJXMRP-ZUOKHONESA-N
SMILES: C[C@@H](NC(=O)c1ccc(cc1)C#N)[C@](O)(Cn1cncn1)c1ccc(Cl)cc1Cl
Systematic name  (3):
  • N-[(1R,2R)-2-(2,4-ジクロロフェニル)-2-ヒドロキシ-1-メチル-3-(1H-1,2,4-トリアゾール-1-イル)プロピル]4-シアノベンズアミド
  • 4-シアノ-N-[(2R,3R)-3-(2,4-ジクロロフェニル)-3-ヒドロキシ-4-(1H-1,2,4-トリアゾール-1-イル)ブタン-2-イル]ベンズアミド
  • 4-cyano-N-[(2R,3R)-3-(2,4-dichlorophenyl)-3-hydroxy-4-(1H-1,2,4-triazol-1-yl)butan-2-yl]benzamide
Other name (1):
  • N-[(1R,2R)-2-(2,4-Dichlorophenyl)-2-hydroxy-1-methyl-3-(1H-1,2,4-triazol-1-yl)propyl]4-cyanobenzamide
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