Chem
J-GLOBAL ID：200907093488279732   Nikkaji number：J1.874.166K

4,5-(1,3-Butadiene-1,4-diyl)-8,9-(1,3-butadiene-1,4-diyl)-2,3,6,7-tetrahydro-2,7-diaza-1H-trindene-1-one

4,5-(1,3-ブタジエン-1,4-ジイル)-8,9-(1,3-ブタジエン-1,4-ジイル)-2,3,6,7-テトラヒドロ-2,7-ジアザ-1H-トリンデン-1-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： C21H14N2O
Molecular formula furigana： C21-H14-N2-O
Molecular weight： 310.356
InChI： InChI=1S/C21H14N2O/c24-21-19-15(10-22-21)17-12-6-2-1-5-11(12)9-14(17)20-18(19)13-7-3-4-8-16(13)23-20/h1-8,23H,9-10H2,(H,22,24)
InChI key： ABMSAGZBJYEZGT-UHFFFAOYSA-N
SMILES： O=C1NCc2c3c(Cc4ccccc34)c3[nH]c4ccccc4c3c12
Systematic name  (3)：
  • 4,5-(1,3-ブタジエン-1,4-ジイル)-8,9-(1,3-ブタジエン-1,4-ジイル)-2,3,6,7-テトラヒドロ-2,7-ジアザ-1H-トリンデン-1-オン
  • 3,13-ジアザヘキサシクロ[14.7.0.02,10.04,9.011,15.017,22]トリコサ-1(16),2(10),4(9),5,7,11(15),17,19,21-ノナエン-12-オン
  • 3,13-diazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1(16),2(10),4(9),5,7,11(15),17,19,21-nonaen-12-one
Other name (1)：
  • 4,5-(1,3-Butadiene-1,4-diyl)-8,9-(1,3-butadiene-1,4-diyl)-2,3,6,7-tetrahydro-2,7-diaza-1H-trindene-1-one
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