Chem
J-GLOBAL ID：200907013530339488   Nikkaji number：J2.258.440E

2-Bromo-4-(2-phenyl-5-oxo-2-oxazoline-4-ylidene)-1,4,5,6,7,8-hexahydropyrrolo[2,3-c]azepine-8-one

2-ブロモ-4-(2-フェニル-5-オキソ-2-オキサゾリン-4-イリデン)-1,4,5,6,7,8-ヘキサヒドロピロロ[2,3-c]アゼピン-8-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： C17H12BrN3O3
Molecular formula furigana： C17-H12-BR-N3-O3
Molecular weight： 386.205
InChI： InChI=1S/C17H12BrN3O3/c18-12-8-11-10(6-7-19-15(22)13(11)20-12)14-17(23)24-16(21-14)9-4-2-1-3-5-9/h1-5,8,20H,6-7H2,(H,19,22)
InChI key： NNFMJUMZBFWVER-UHFFFAOYSA-N
SMILES： Brc1cc2c([nH]1)C(=O)NCCC2=C1N=C(OC1=O)c1ccccc1
Systematic name  (3)：
  • 2-ブロモ-4-(2-フェニル-5-オキソ-2-オキサゾリン-4-イリデン)-1,4,5,6,7,8-ヘキサヒドロピロロ[2,3-c]アゼピン-8-オン
  • 4-{2-ブロモ-8-オキソ-1H,4H,5H,6H,7H,8H-ピロロ[2,3-c]アゼピン-4-イリデン}-2-フェニル-4,5-ジヒドロ-1,3-オキサゾール-5-オン
  • 4-{2-bromo-8-oxo-1H,4H,5H,6H,7H,8H-pyrrolo[2,3-c]azepin-4-ylidene}-2-phenyl-4,5-dihydro-1,3-oxazol-5-one
Other name (1)：
  • 2-Bromo-4-(2-phenyl-5-oxo-2-oxazoline-4-ylidene)-1,4,5,6,7,8-hexahydropyrrolo[2,3-c]azepine-8-one
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