Chem
J-GLOBAL ID:201707001702002221
Nikkaji number:J3.601.591H
2-Ethyl-6-[3-(2-oxo-2H-1-benzopyran-3-yl)-5-(2-thienyl)-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-(2-チエニル)-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
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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:
C30 H21 N3 O4 S
Molecular formula furigana:
C30-H21-N3-O4-S
Molecular weight:
519.580
InChI:
InChI=1S/C30H21N3O4S/c1-2-32-28(34)19-9-5-8-18-23(13-12-20(27(18)19)29(32)35)33-24(26-11-6-14-38-26)16-22(31-33)21-15-17-7-3-4-10-25(17)37-30(21)36/h3-15,24H,2,16H2,1H3
InChI key:
QWJWUUNIBKOXAF-UHFFFAOYSA-N
SMILES:
CCn1c(=O)c2cccc3c(ccc(c1=O)c23)N1N=C(CC1c1cccs1)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-(2-チエニル)-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-[3-(2-オキソ-2H-クロメン-3-イル)-5-(チオフェン-2-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-[3-(2-oxo-2H-chromen-3-yl)-5-(thiophen-2-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-(2-thienyl)-2-pyrazoline-1-yl]-1H-benzo[de]isoquinoline-1,3(2H)-dione
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