Chem
J-GLOBAL ID：201707021405567032   Nikkaji number：J3.601.588H

2-Ethyl-6-[3-(2-oxo-2H-1-benzopyran-3-yl)-5-(4-methoxyphenyl)-2-pyrazoline-1-yl]-1H-benzo[de]isoquinoline-1,3(2H)-dione

2-エチル-6-[3-(2-オキソ-2H-1-ベンゾピラン-3-イル)-5-(4-メトキシフェニル)-2-ピラゾリン-1-イル]-1H-ベンゾ[de]イソキノリン-1,3(2H)-ジオン
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： C33H25N3O5
Molecular formula furigana： C33-H25-N3-O5
Molecular weight： 543.579
InChI： InChI=1S/C33H25N3O5/c1-3-35-31(37)23-9-6-8-22-27(16-15-24(30(22)23)32(35)38)36-28(19-11-13-21(40-2)14-12-19)18-26(34-36)25-17-20-7-4-5-10-29(20)41-33(25)39/h4-17,28H,3,18H2,1-2H3
InChI key： NNXDYIMZGVKTIX-UHFFFAOYSA-N
SMILES： CCn1c(=O)c2cccc3c(ccc(c1=O)c23)N1N=C(CC1c1ccc(OC)cc1)c1cc2ccccc2oc1=O
Systematic name  (3)：
  • 2-エチル-6-[3-(2-オキソ-2H-1-ベンゾピラン-3-イル)-5-(4-メトキシフェニル)-2-ピラゾリン-1-イル]-1H-ベンゾ[de]イソキノリン-1,3(2H)-ジオン
  • 3-エチル-8-[5-(4-メトキシフェニル)-3-(2-オキソ-2H-クロメン-3-イル)-4,5-ジヒドロ-1H-ピラゾール-1-イル]-3-アザトリシクロ[7.3.1.05,13]トリデカ-1(13),5,7,9,11-ペンタエン-2,4-ジオン
  • 3-ethyl-8-[5-(4-methoxyphenyl)-3-(2-oxo-2H-chromen-3-yl)-4,5-dihydro-1H-pyrazol-1-yl]-3-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene-2,4-dione
Other name (1)：
  • 2-Ethyl-6-[3-(2-oxo-2H-1-benzopyran-3-yl)-5-(4-methoxyphenyl)-2-pyrazoline-1-yl]-1H-benzo[de]isoquinoline-1,3(2H)-dione
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