Chem
J-GLOBAL ID：200907079229229686
Nikkaji number：J1.597.934H
1-Allyl-2-[(2S)-2-(1,3-dioxo-2H-isoindole-2-yl)propionyl]-5,8-dibromo-6,7-dimethoxy-1,2-dihydroisoquinoline
1-アリル-2-[(2S)-2-(1,3-ジオキソ-2H-イソインドール-2-イル)プロピオニル]-5,8-ジブロモ-6,7-ジメトキシ-1,2-ジヒドロイソキノリン
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
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
Molecular formula： C25H22Br2N2O5
Molecular formula furigana： C25-H22-BR2-N2-O5
Molecular weight： 590.268
InChI：
InChI=1S/C25H22Br2N2O5/c1-5-8-17-18-16(19(26)21(33-3)22(34-4)20(18)27)11-12-28(17)23(30)13(2)29-24(31)14-9-6-7-10-15(14)25(29)32/h5-7,9-13,17H,1,8H2,2-4H3/t13-,17?/m0/s1
InChI key：
XGDVWMXKWAAUED-CWQZNGJJSA-N
SMILES：
COc1c(Br)c2C=CN(C(CC=C)c2c(Br)c1OC)C(=O)[C@H](C)N1C(=O)c2ccccc2C1=O
Systematic name (3)：
- 1-アリル-2-[(2S)-2-(1,3-ジオキソ-2H-イソインドール-2-イル)プロピオニル]-5,8-ジブロモ-6,7-ジメトキシ-1,2-ジヒドロイソキノリン
- 2-[(2S)-1-[5,8-ジブロモ-6,7-ジメトキシ-1-(プロパ-2-エン-1-イル)-1,2-ジヒドロイソキノリン-2-イル]-1-オキソプロパン-2-イル]-2,3-ジヒドロ-1H-イソインドール-1,3-ジオン
- 2-[(2S)-1-[5,8-dibromo-6,7-dimethoxy-1-(prop-2-en-1-yl)-1,2-dihydroisoquinolin-2-yl]-1-oxopropan-2-yl]-2,3-dihydro-1H-isoindole-1,3-dione
- 1-Allyl-2-[(2S)-2-(1,3-dioxo-2H-isoindole-2-yl)propionyl]-5,8-dibromo-6,7-dimethoxy-1,2-dihydroisoquinoline
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