Chem
J-GLOBAL ID：200907091408636936   Nikkaji number：J395.106E

7-Chloro-5-(o-fluorophenyl)-2,3-dihydro-3-hydroxy-2-oxo-1H-1,4-benzodiazepine-1-propanenitrile

7-クロロ-5-(o-フルオロフェニル)-2,3-ジヒドロ-3-ヒドロキシ-2-オキソ-1H-1,4-ベンゾジアゼピン-1-プロパンニトリル
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： C18H13ClFN3O2
Molecular formula furigana： C18-H13-CL-F-N3-O2
Molecular weight： 357.770
InChI： InChI=1S/C18H13ClFN3O2/c19-11-6-7-15-13(10-11)16(12-4-1-2-5-14(12)20)22-17(24)18(25)23(15)9-3-8-21/h1-2,4-7,10,17,24H,3,9H2
InChI key： XAXMYHMKTCNRRZ-UHFFFAOYSA-N
SMILES： OC1N=C(c2ccccc2F)c2cc(Cl)ccc2N(CCC#N)C1=O
Systematic name  (4)：
  • 1-(2-シアノエチル)-7-クロロ-3-ヒドロキシ-5-(2-フルオロフェニル)-1,3-ジヒドロ-2H-1,4-ベンゾジアゼピン-2-オン
  • 7-クロロ-5-(o-フルオロフェニル)-2,3-ジヒドロ-3-ヒドロキシ-2-オキソ-1H-1,4-ベンゾジアゼピン-1-プロパンニトリル
  • 3-[7-クロロ-5-(2-フルオロフェニル)-3-ヒドロキシ-2-オキソ-2,3-ジヒドロ-1H-1,4-ベンゾジアゼピン-1-イル]プロパンニトリル
  • 3-[7-chloro-5-(2-fluorophenyl)-3-hydroxy-2-oxo-2,3-dihydro-1H-1,4-benzodiazepin-1-yl]propanenitrile
Other name (1)：
  • 7-Chloro-5-(o-fluorophenyl)-2,3-dihydro-3-hydroxy-2-oxo-1H-1,4-benzodiazepine-1-propanenitrile
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