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KW9

概要
表記:7-fluoro-N-[2-(2-methoxyphenoxy)ethyl]-2-oxo-1,2-dihydroquinoline-4-carboxamide
組成式:C19 H17 F N2 O4
電荷:0
化学式量:356.348 Da
分子種別:non-polymer

化合物名

プログラムバージョン表記
ACDLabs12.017-fluoro-N-[2-(2-methoxyphenoxy)ethyl]-2-oxo-1,2-dihydroquinoline-4-carboxamide
OpenEye OEToolkits2.0.77-fluoranyl-~{N}-[2-(2-methoxyphenoxy)ethyl]-2-oxidanylidene-1~{H}-quinoline-4-carboxamide

化合物記述子(線形表記)

種別プログラムバージョン表記
SMILESACDLabs12.01COc1ccccc1OCCNC(=O)C1=CC(=O)Nc2cc(F)ccc21
InChIInChI1.06InChI=1S/C19H17FN2O4/c1-25-16-4-2-3-5-17(16)26-9-8-21-19(24)14-11-18(23)22-15-10-12(20)6-7-13(14)15/h2-7,10-11H,8-9H2,1H3,(H,21,24)(H,22,23)
InChIKeyInChI1.06KKIJAAYVRSUCNW-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385COc1ccccc1OCCNC(=O)C2=CC(=O)Nc3cc(F)ccc23
SMILESCACTVS3.385COc1ccccc1OCCNC(=O)C2=CC(=O)Nc3cc(F)ccc23
SMILES_CANONICALOpenEye OEToolkits2.0.7COc1ccccc1OCCNC(=O)C2=CC(=O)Nc3c2ccc(c3)F
SMILESOpenEye OEToolkits2.0.7COc1ccccc1OCCNC(=O)C2=CC(=O)Nc3c2ccc(c3)F

222926

件を2024-07-24に公開中

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