Chem
J-GLOBAL ID:200907003256201231   Nikkaji number:J1.234.593C

(3R)-1-Phenyl-3-(4-amino-3,5-dichlorobenzoylamino)-9-methyl-3,4,6,7-tetrahydropyrrolo[3,2,1-jk][1,4]benzodiazepine-4-one

(3R)-1-フェニル-3-(4-アミノ-3,5-ジクロロベンゾイルアミノ)-9-メチル-3,4,6,7-テトラヒドロピロロ[3,2,1-jk][1,4]ベンゾジアゼピン-4-オン
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: C25H20Cl2N4O2
Molecular formula furigana: C25-H20-CL2-N4-O2
Molecular weight: 479.360
InChI: InChI=1S/C25H20Cl2N4O2/c1-13-9-15-7-8-31-22(15)17(10-13)21(14-5-3-2-4-6-14)29-23(25(31)33)30-24(32)16-11-18(26)20(28)19(27)12-16/h2-6,9-12,23H,7-8,28H2,1H3,(H,30,32)/t23-/m0/s1
InChI key: IQZZOLVGBYWFIM-QHCPKHFHSA-N
SMILES: Cc1cc2CCN3c2c(c1)C(=N[C@@H](NC(=O)c1cc(Cl)c(N)c(Cl)c1)C3=O)c1ccccc1
Systematic name  (3):
  • (3R)-1-フェニル-3-(4-アミノ-3,5-ジクロロベンゾイルアミノ)-9-メチル-3,4,6,7-テトラヒドロピロロ[3,2,1-jk][1,4]ベンゾジアゼピン-4-オン
  • 4-アミノ-3,5-ジクロロ-N-[(11R)-6-メチル-12-オキソ-9-フェニル-1,10-ジアザトリシクロ[6.4.1.04,13]トリデカ-4(13),5,7,9-テトラエン-11-イル]ベンズアミド
  • 4-amino-3,5-dichloro-N-[(11R)-6-methyl-12-oxo-9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-11-yl]benzamide
Other name (1):
  • (3R)-1-Phenyl-3-(4-amino-3,5-dichlorobenzoylamino)-9-methyl-3,4,6,7-tetrahydropyrrolo[3,2,1-jk][1,4]benzodiazepine-4-one
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