Chem
J-GLOBAL ID：201507001810102947   Nikkaji number：J3.439.931J

RO-3280

4-({9-シクロペンチル-7,7-ジフルオロ-5-メチル-6-オキソ-5H,6H,7H,8H,9H-ピリミド[4,5-b][1,4]ジアゼピン-2-イル}アミノ)-3-メトキシ-N-(1-メチルピペリジン-4-イル)ベンズアミド
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： C27H35F2N7O3
Molecular formula furigana： C27-H35-F2-N7-O3
Molecular weight： 543.620
InChI： InChI=1S/C27H35F2N7O3/c1-34-12-10-18(11-13-34)31-24(37)17-8-9-20(22(14-17)39-3)32-26-30-15-21-23(33-26)36(19-6-4-5-7-19)16-27(28,29)25(38)35(21)2/h8-9,14-15,18-19H,4-7,10-13,16H2,1-3H3,(H,31,37)(H,30,32,33)
InChI key： DJNZZLZKAXGMMC-UHFFFAOYSA-N
SMILES： COc1cc(ccc1Nc1ncc2N(C)C(=O)C(F)(F)CN(C3CCCC3)c2n1)C(=O)NC1CCN(C)CC1
Systematic name  (3)：
  • N-(1-メチル-4-ピペリジニル)-3-メトキシ-4-[(7,7-ジフルオロ-5-メチル-6-オキソ-9-シクロペンチル-6,7,8,9-テトラヒドロ-5H-ピリミド[4,5-b][1,4]ジアゼピン-2-イル)アミノ]ベンズアミド
  • 4-({9-シクロペンチル-7,7-ジフルオロ-5-メチル-6-オキソ-5H,6H,7H,8H,9H-ピリミド[4,5-b][1,4]ジアゼピン-2-イル}アミノ)-3-メトキシ-N-(1-メチルピペリジン-4-イル)ベンズアミド
  • 4-({9-cyclopentyl-7,7-difluoro-5-methyl-6-oxo-5H,6H,7H,8H,9H-pyrimido[4,5-b][1,4]diazepin-2-yl}amino)-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide
Other name (2)：
  • N-(1-Methyl-4-piperidinyl)-3-methoxy-4-[(7,7-difluoro-5-methyl-6-oxo-9-cyclopentyl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepine-2-yl)amino]benzamide
  • RO-3280
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