Chem
J-GLOBAL ID：201407022237788234   Nikkaji number：J3.265.166F

4-(11,12-Azimino-5,6-dihydrodibenzo[a,e]cyclooctene-13-ylmethyl)benzoic acid methyl ester

4-(11,12-アジミノ-5,6-ジヒドロジベンゾ[a,e]シクロオクテン-13-イルメチル)安息香酸メチル
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： C25H21N3O2
Molecular formula furigana： C25-H21-N3-O2
Molecular weight： 395.462
InChI： InChI=1S/C25H21N3O2/c1-30-25(29)20-12-10-17(11-13-20)16-28-24-22-9-5-3-7-19(22)15-14-18-6-2-4-8-21(18)23(24)26-27-28/h2-13H,14-16H2,1H3
InChI key： IWITTXWYGLNREQ-UHFFFAOYSA-N
SMILES： COC(=O)c1ccc(Cn2nnc3c2c2ccccc2CCc2ccccc32)cc1
Systematic name  (2)：
  • 4-(11,12-アジミノ-5,6-ジヒドロジベンゾ[a,e]シクロオクテン-13-イルメチル)安息香酸メチル
  • 11,12-[1-[4-(メトキシカルボニル)ベンジル]-1,2,3-トリアザ-2-プロペン-1,3-ジイル]-5,6-ジヒドロジベンゾ[a,e]シクロオクテン
Other name (2)：
  • 4-(11,12-Azimino-5,6-dihydrodibenzo[a,e]cyclooctene-13-ylmethyl)benzoic acid methyl ester
  • 11,12-[1-[4-(Methoxycarbonyl)benzyl]-1,2,3-triaza-2-propene-1,3-diyl]-5,6-dihydrodibenzo[a,e]cyclooctene
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