Chem
J-GLOBAL ID:200907094291336927   Nikkaji number:J1.620.478A

1-[(βS)-β-Hydroxy-3,4-dichlorophenethyl]-1-isopropyl-3-[4-(3-pyridinylcarbonylaminomethyl)phenyl]urea

1-[(βS)-β-ヒドロキシ-3,4-ジクロロフェネチル]-1-イソプロピル-3-[4-(3-ピリジニルカルボニルアミノメチル)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: C25H26Cl2N4O3
Molecular formula furigana: C25-H26-CL2-N4-O3
Molecular weight: 501.410
InChI: InChI=1S/C25H26Cl2N4O3/c1-16(2)31(15-23(32)18-7-10-21(26)22(27)12-18)25(34)30-20-8-5-17(6-9-20)13-29-24(33)19-4-3-11-28-14-19/h3-12,14,16,23,32H,13,15H2,1-2H3,(H,29,33)(H,30,34)/t23-/m1/s1
InChI key: OSVYMGKANBLRME-HSZRJFAPSA-N
SMILES: CC(C)N(C[C@@H](O)c1ccc(Cl)c(Cl)c1)C(=O)Nc1ccc(CNC(=O)c2cccnc2)cc1
Systematic name  (3):
  • 1-[(βS)-β-ヒドロキシ-3,4-ジクロロフェネチル]-1-イソプロピル-3-[4-(3-ピリジニルカルボニルアミノメチル)フェニル]尿素
  • N-{[4-({[(2S)-2-(3,4-ジクロロフェニル)-2-ヒドロキシエチル](プロパン-2-イル)カルバモイル}アミノ)フェニル]メチル}ピリジン-3-カルボキサミド
  • N-{[4-({[(2S)-2-(3,4-dichlorophenyl)-2-hydroxyethyl](propan-2-yl)carbamoyl}amino)phenyl]methyl}pyridine-3-carboxamide
Other name (1):
  • 1-[(βS)-β-Hydroxy-3,4-dichlorophenethyl]-1-isopropyl-3-[4-(3-pyridinylcarbonylaminomethyl)phenyl]urea
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