Chem
J-GLOBAL ID：200907001327854620   Nikkaji number：J624.245F

N-tert-Butyl-2-[[2,3,4,5-tetrahydro-5α-cyclohexyl-2-oxo-3β-[3-(3-chlorophenyl)ureido]-1H-1-benzazepin]-1-yl]acetamide

N-tert-ブチル-2-[[2,3,4,5-テトラヒドロ-5α-シクロヘキシル-2-オキソ-3β-[3-(3-クロロフェニル)ウレイド]-1H-1-ベンゾアゼピン]-1-イル]アセトアミド
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： C29H37ClN4O3
Molecular formula furigana： C29-H37-CL-N4-O3
Molecular weight： 525.090
InChI： InChI=1S/C29H37ClN4O3/c1-29(2,3)33-26(35)18-34-25-15-8-7-14-22(25)23(19-10-5-4-6-11-19)17-24(27(34)36)32-28(37)31-21-13-9-12-20(30)16-21/h7-9,12-16,19,23-24H,4-6,10-11,17-18H2,1-3H3,(H,33,35)(H2,31,32,37)/t23-,24+/m1/s1
InChI key： TVNLSGMCRJXNND-RPWUZVMVSA-N
SMILES： CC(C)(C)NC(=O)CN1c2ccccc2[C@H](C[C@H](NC(=O)Nc2cccc(Cl)c2)C1=O)C1CCCCC1
Systematic name  (3)：
  • N-tert-ブチル-2-[[2,3,4,5-テトラヒドロ-5α-シクロヘキシル-2-オキソ-3β-[3-(3-クロロフェニル)ウレイド]-1H-1-ベンゾアゼピン]-1-イル]アセトアミド
  • N-tert-ブチル-2-[(3S,5R)-3-{[(3-クロロフェニル)カルバモイル]アミノ}-5-シクロヘキシル-2-オキソ-2,3,4,5-テトラヒドロ-1H-1-ベンゾアゼピン-1-イル]アセトアミド
  • N-tert-butyl-2-[(3S,5R)-3-{[(3-chlorophenyl)carbamoyl]amino}-5-cyclohexyl-2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl]acetamide
Other name (1)：
  • N-tert-Butyl-2-[[2,3,4,5-tetrahydro-5α-cyclohexyl-2-oxo-3β-[3-(3-chlorophenyl)ureido]-1H-1-benzazepin]-1-yl]acetamide
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