Chem
J-GLOBAL ID：200907034630975966   Nikkaji number：J34.195I

Oxaline

オキサリン
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： C24H25N5O4
Molecular formula furigana： C24-H25-N5-O4
Molecular weight： 447.495
InChI： InChI=1S/C24H25N5O4/c1-6-22(2,3)23-12-19(32-4)21(31)28-18(11-15-13-25-14-26-15)20(30)27-24(23,28)29(33-5)17-10-8-7-9-16(17)23/h6-14H,1H2,2-5H3,(H,25,26)(H,27,30)/b18-11+/t23-,24-/m0/s1
InChI key： SOHAVULMGIITDH-ZXPSTKSJSA-N
SMILES： CON1c2ccccc2[C@@]2(C=C(OC)C(=O)N3/C(=C/c4c[nH]cn4)/C(=O)N[C@@]123)C(C)(C)C=C
Systematic name  (3)：
  • (7aR,12aS)-7a-(1,1-ジメチル-2-プロペニル)-7a,12-ジヒドロ-3-[(E)-(1H-イミダゾール-4-イル)メチレン]-6,12-ジメトキシ-1H,5H-イミダゾ[1′,2′:1,2]ピリド[2,3-b]インドール-2,5(3H)-ジオン
  • (1S,9R,14E)-14-[(1H-イミダゾール-4-イル)メチリデン]-2,11-ジメトキシ-9-(2-メチルブタ-3-エン-2-イル)-2,13,16-トリアザテトラシクロ[7.7.0.01,13.03,8]ヘキサデカ-3,5,7,10-テトラエン-12,15-ジオン
  • (1S,9R,14E)-14-[(1H-imidazol-4-yl)methylidene]-2,11-dimethoxy-9-(2-methylbut-3-en-2-yl)-2,13,16-triazatetracyclo[7.7.0.01,13.03,8]hexadeca-3,5,7,10-tetraene-12,15-dione
Other name (3)：
  • オキサリン
  • Oxaline
  • (7aR,12aS)-7a-(1,1-Dimethyl-2-propenyl)-7a,12-dihydro-3-[(E)-(1H-imidazol-4-yl)methylene]-6,12-dimethoxy-1H,5H-imidazo[1′,2′:1,2]pyrido[2,3-b]indole-2,5(3H)-dione
CAS registry number： 55623-37-5
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