Chem
J-GLOBAL ID：200907053801457777
Nikkaji number：J506.491K
AHN-683
N-(ブタン-2-イル)-1-[5-({3',6'-ジヒドロキシ-3-オキソ-3H-スピロ[2-ベンゾフラン-1,9'-キサンテン]-5-イル}アミド)-2-フルオロフェニル]-N-メチルイソキノリン-3-カルボキサミド
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： C42H32FN3O7
Molecular formula furigana： C42-H32-F-N3-O7
Molecular weight： 709.730
InChI：
InChI=1S/C42H32FN3O7/c1-4-22(2)46(3)40(50)35-18-23-7-5-6-8-28(23)38(45-35)30-19-25(10-16-34(30)43)44-39(49)24-9-13-31-29(17-24)41(51)53-42(31)32-14-11-26(47)20-36(32)52-37-21-27(48)12-15-33(37)42/h5-22,47-48H,4H2,1-3H3,(H,44,49)
InChI key：
UBHBPMOKEFIASH-UHFFFAOYSA-N
SMILES：
CCC(C)N(C)C(=O)c1cc2ccccc2c(n1)c1cc(NC(=O)c2ccc3c(c2)C(=O)OC23c3ccc(O)cc3Oc3cc(O)ccc23)ccc1F
Systematic name (3)：
- 3,6-ジヒドロキシ-1′-オキソ-N-[3-[3-[メチル(1-メチルプロピル)カルバモイル]イソキノリン-1-イル]-4-フルオロフェニル]スピロ[9H-キサンテン-9,3′(1′H)-イソベンゾフラン]-6′-カルボアミド
- N-(ブタン-2-イル)-1-[5-({3',6'-ジヒドロキシ-3-オキソ-3H-スピロ[2-ベンゾフラン-1,9'-キサンテン]-5-イル}アミド)-2-フルオロフェニル]-N-メチルイソキノリン-3-カルボキサミド
- N-(butan-2-yl)-1-[5-({3',6'-dihydroxy-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthen]-5-yl}amido)-2-fluorophenyl]-N-methylisoquinoline-3-carboxamide
- AHN-683
- 3,6-Dihydroxy-1′-oxo-N-[3-[3-[methyl(1-methylpropyl)carbamoyl]isoquinolin-1-yl]-4-fluorophenyl]spiro[9H-xanthene-9,3′(1′H)-isobenzofuran]-6′-carboxamide
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