Chem
J-GLOBAL ID:200907051384897065   Nikkaji number:J2.053.252A

3-[2-Fluoro-4-[3-[4-[(R)-2-(3,4-dichlorobenzoylamino)propionyl]piperazino]propoxy]phenyl]-5-(cyclopentylmethyl)-1,2,4-oxadiazole

3-[2-フルオロ-4-[3-[4-[(R)-2-(3,4-ジクロロベンゾイルアミノ)プロピオニル]ピペラジノ]プロポキシ]フェニル]-5-(シクロペンチルメチル)-1,2,4-オキサジアゾール
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: C31H36Cl2FN5O4
Molecular formula furigana: C31-H36-CL2-F-N5-O4
Molecular weight: 632.560
InChI: InChI=1S/C31H36Cl2FN5O4/c1-20(35-30(40)22-7-10-25(32)26(33)18-22)31(41)39-14-12-38(13-15-39)11-4-16-42-23-8-9-24(27(34)19-23)29-36-28(43-37-29)17-21-5-2-3-6-21/h7-10,18-21H,2-6,11-17H2,1H3,(H,35,40)/t20-/m1/s1
InChI key: GVPPLEUEJYSEOK-HXUWFJFHSA-N
SMILES: C[C@@H](NC(=O)c1ccc(Cl)c(Cl)c1)C(=O)N1CCN(CCCOc2ccc(c3noc(CC4CCCC4)n3)c(F)c2)CC1
Systematic name  (3):
  • 3-[2-フルオロ-4-[3-[4-[(R)-2-(3,4-ジクロロベンゾイルアミノ)プロピオニル]ピペラジノ]プロポキシ]フェニル]-5-(シクロペンチルメチル)-1,2,4-オキサジアゾール
  • 3,4-ジクロロ-N-[(2R)-1-[4-(3-{4-[5-(シクロペンチルメチル)-1,2,4-オキサジアゾール-3-イル]-3-フルオロフェノキシ}プロピル)ピペラジン-1-イル]-1-オキソプロパン-2-イル]ベンズアミド
  • 3,4-dichloro-N-[(2R)-1-[4-(3-{4-[5-(cyclopentylmethyl)-1,2,4-oxadiazol-3-yl]-3-fluorophenoxy}propyl)piperazin-1-yl]-1-oxopropan-2-yl]benzamide
Other name (1):
  • 3-[2-Fluoro-4-[3-[4-[(R)-2-(3,4-dichlorobenzoylamino)propionyl]piperazino]propoxy]phenyl]-5-(cyclopentylmethyl)-1,2,4-oxadiazole
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