N-(1-cyanocyclopropyl)-2-[[2,2,2-trifluoro-1-[4-(4-methylsulfonylphenyl)phenyl]ethyl]amino]pentanamide

HCID 178448936

基本情報

標準SMILES: CCCC(NC(c1ccc(-c2ccc(S(C)(=O)=O)cc2)cc1)C(F)(F)F)C(=O)NC1(C#N)CC1
InChIKey: LHAPGSDMOUJXAW-UHFFFAOYSA-N
分子式: C24H26F3N3O3S
平均分子量: 493.5 g/mol
単同位体質量: 493.16469736

IUPAC: N-(1-cyanocyclopropyl)-2-[[2,2,2-trifluoro-1-[4-(4-methylsulfonylphenyl)phenyl]ethyl]amino]pentanamide

7 件

HRID 157220反応物としてTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 205668反応物としてTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 209804反応物としてTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 800688反応物としてTest data from https://doi.org/10.1039/C8SC04228D

HRID 955610生成物としてValidation data from https://doi.org/10.1039/C8SC04228D

HRID 1213481反応物としてTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

HRID 2313688反応物としてTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

読み込み中…

標準SMILES: CCCC(NC(c1ccc(-c2ccc(S(C)(=O)=O)cc2)cc1)C(F)(F)F)C(=O)NC1(C#N)CC1
InChIKey: LHAPGSDMOUJXAW-UHFFFAOYSA-N
分子式: C24H26F3N3O3S
平均分子量: 493.5 g/mol
単同位体質量: 493.16469736

IUPAC: N-(1-cyanocyclopropyl)-2-[[2,2,2-trifluoro-1-[4-(4-methylsulfonylphenyl)phenyl]ethyl]amino]pentanamide

7 件