Chem
J-GLOBAL ID：200907073140303183   Nikkaji number：J1.404.077C

N-[(1R,2R)-1-Methyl-2-hydroxy-2-(2,4-difluorophenyl)-3-(1H-1,2,4-triazole-1-yl)propyl]-N-(2-chloroethyl)-N′-[4-(1H-tetrazole-1-yl)phenyl]urea

N-[(1R,2R)-1-メチル-2-ヒドロキシ-2-(2,4-ジフルオロフェニル)-3-(1H-1,2,4-トリアゾール-1-イル)プロピル]-N-(2-クロロエチル)-N′-[4-(1H-テトラゾール-1-イル)フェニル]尿素
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： C22H22ClF2N9O2
Molecular formula furigana： C22-H22-CL-F2-N9-O2
Molecular weight： 517.929
InChI： InChI=1S/C22H22ClF2N9O2/c1-15(22(36,11-32-13-26-12-28-32)19-7-2-16(24)10-20(19)25)33(9-8-23)21(35)29-17-3-5-18(6-4-17)34-14-27-30-31-34/h2-7,10,12-15,36H,8-9,11H2,1H3,(H,29,35)/t15-,22-/m1/s1
InChI key： CHRJWYULPBONAT-IVZQSRNASA-N
SMILES： C[C@@H](N(CCCl)C(=O)Nc1ccc(cc1)n1cnnn1)[C@](O)(Cn1cncn1)c1ccc(F)cc1F
Systematic name  (3)：
  • N-[(1R,2R)-1-メチル-2-ヒドロキシ-2-(2,4-ジフルオロフェニル)-3-(1H-1,2,4-トリアゾール-1-イル)プロピル]-N-(2-クロロエチル)-N′-[4-(1H-テトラゾール-1-イル)フェニル]尿素
  • 1-(2-クロロエチル)-1-[(2R,3R)-3-(2,4-ジフルオロフェニル)-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]-3-[4-(1H-1,2,3,4-テトラゾール-1-イル)フェニル]尿素
  • 1-(2-chloroethyl)-1-[(2R,3R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1H-1,2,4-triazol-1-yl)butan-2-yl]-3-[4-(1H-1,2,3,4-tetrazol-1-yl)phenyl]urea
Other name (1)：
  • N-[(1R,2R)-1-Methyl-2-hydroxy-2-(2,4-difluorophenyl)-3-(1H-1,2,4-triazole-1-yl)propyl]-N-(2-chloroethyl)-N′-[4-(1H-tetrazole-1-yl)phenyl]urea
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