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JHE

概要
表記:3-methyl-1-oxidanyl-2-[4-[[4-(trifluoromethyloxy)phenyl]methyl]phenyl]quinolin-4-one
組成式:C24 H18 F3 N O3
電荷:0
化学式量:425.4 Da
分子種別:NON-POLYMER

化合物名

プログラムバージョン表記
OpenEye OEToolkits2.0.73-methyl-1-oxidanyl-2-[4-[[4-(trifluoromethyloxy)phenyl]methyl]phenyl]quinolin-4-one

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/C24H18F3NO3/c1-15-22(28(30)21-5-3-2-4-20(21)23(15)29)18-10-6-16(7-11-18)14-17-8-12-19(13-9-17)31-24(25,26)27/h2-13,30H,14H2,1H3
InChIKeyInChI1.03ZSBSILZBHTWRSX-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CC1=C(N(O)c2ccccc2C1=O)c3ccc(Cc4ccc(OC(F)(F)F)cc4)cc3
SMILESCACTVS3.385CC1=C(N(O)c2ccccc2C1=O)c3ccc(Cc4ccc(OC(F)(F)F)cc4)cc3
SMILES_CANONICALOpenEye OEToolkits2.0.7CC1=C(N(c2ccccc2C1=O)O)c3ccc(cc3)Cc4ccc(cc4)OC(F)(F)F
SMILESOpenEye OEToolkits2.0.7CC1=C(N(c2ccccc2C1=O)O)c3ccc(cc3)Cc4ccc(cc4)OC(F)(F)F

223532

件を2024-08-07に公開中

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