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

HCID 178448936

기본 정보

표준 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
분자식: C24H26F3N3O3S
평균 분자량: 493.5 g/mol
단동위원소 질량: 493.16469736

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

7건

HRID 157220반응물로Training data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 205668반응물로Training data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 209804반응물로Training data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 800688반응물로Test data from https://doi.org/10.1039/C8SC04228D

HRID 955610생성물로Validation data from https://doi.org/10.1039/C8SC04228D

HRID 1213481반응물로Training data from https://doi.org/10.1039/C8SC04228D (5/10)

HRID 2313688반응물로Training data from https://doi.org/10.1039/C8SC04228D (10/10)

불러오는 중…

표준 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
분자식: C24H26F3N3O3S
평균 분자량: 493.5 g/mol
단동위원소 질량: 493.16469736

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

7건