Chem
J-GLOBAL ID：201807009420063617   Nikkaji number：J3.724.557G

4-[[3,4,5-Triazatetracyclo[13.4.0.02,6.07,12]nonadecane-1(15),4,7(12),8,10,16,18-heptaene-3-yl]methyl]benzoic acid methyl ester

メチル 4-({3,4,5-トリアザテトラシクロ[13.4.0.02,6.07,12]ノナデカ-1(19),4,7,9,11,15,17-ヘプタエン-3-イル}メチル)ベンゾアート
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： C25H23N3O2
Molecular formula furigana： C25-H23-N3-O2
Molecular weight： 397.478
InChI： InChI=1S/C25H23N3O2/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/h2-13,23-24H,14-16H2,1H3
InChI key： JGOXXCUCGKDINT-UHFFFAOYSA-N
SMILES： COC(=O)c1ccc(CN2N=NC3C2c2ccccc2CCc2ccccc32)cc1
Systematic name  (3)：
  • 4-[[3,4,5-トリアザテトラシクロ[13.4.0.02,6.07,12]ノナデカン-1(15),4,7(12),8,10,16,18-ヘプタエン-3-イル]メチル]安息香酸メチル
  • メチル 4-({3,4,5-トリアザテトラシクロ[13.4.0.02,6.07,12]ノナデカ-1(19),4,7,9,11,15,17-ヘプタエン-3-イル}メチル)ベンゾアート
  • methyl 4-({3,4,5-triazatetracyclo[13.4.0.02,6.07,12]nonadeca-1(19),4,7,9,11,15,17-heptaen-3-yl}methyl)benzoate
Other name (1)：
  • 4-[[3,4,5-Triazatetracyclo[13.4.0.02,6.07,12]nonadecane-1(15),4,7(12),8,10,16,18-heptaene-3-yl]methyl]benzoic acid methyl ester
Thsaurus map：
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