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ZI6

概要
表記:3-[[5-bromanyl-4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]methoxy]-2,6-bis(fluoranyl)benzamide
組成式:C18 H10 Br F5 N2 O3
電荷:0
化学式量:477.18 Da
分子種別:NON-POLYMER

化合物名

プログラムバージョン表記
OpenEye OEToolkits2.0.63-[[5-bromanyl-4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]methoxy]-2,6-bis(fluoranyl)benzamide

化合物記述子(線形表記)

種別プログラムバージョン表記
InChIInChI1.03InChI=1S/C18H10BrF5N2O3/c19-16-15(8-1-3-9(4-2-8)18(22,23)24)26-12(29-16)7-28-11-6-5-10(20)13(14(11)21)17(25)27/h1-6H,7H2,(H2,25,27)
InChIKeyInChI1.03ONGPJYSSZQHFBU-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385NC(=O)c1c(F)ccc(OCc2oc(Br)c(n2)c3ccc(cc3)C(F)(F)F)c1F
SMILESCACTVS3.385NC(=O)c1c(F)ccc(OCc2oc(Br)c(n2)c3ccc(cc3)C(F)(F)F)c1F
SMILES_CANONICALOpenEye OEToolkits2.0.6c1cc(ccc1c2c(oc(n2)COc3ccc(c(c3F)C(=O)N)F)Br)C(F)(F)F
SMILESOpenEye OEToolkits2.0.6c1cc(ccc1c2c(oc(n2)COc3ccc(c(c3F)C(=O)N)F)Br)C(F)(F)F

219869

件を2024-05-15に公開中

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