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G0X

Summary
Name:3-oxidanyl-2-[3,5,6-tris(chloranyl)-4-[(4-chlorophenyl)methylamino]pyridin-2-yl]carbonyl-cyclohex-2-en-1-one
Formula:C19 H14 Cl4 N2 O3
Formal charge:0
Formula weight:460.138 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.73-oxidanyl-2-[3,5,6-tris(chloranyl)-4-[(4-chlorophenyl)methylamino]pyridin-2-yl]carbonyl-cyclohex-2-en-1-one

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C19H14Cl4N2O3/c20-10-6-4-9(5-7-10)8-24-16-14(21)17(25-19(23)15(16)22)18(28)13-11(26)2-1-3-12(13)27/h4-7,26H,1-3,8H2,(H,24,25)
InChIKeyInChI1.03MQJYIBCWAJRDCH-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385OC1=C(C(=O)CCC1)C(=O)c2nc(Cl)c(Cl)c(NCc3ccc(Cl)cc3)c2Cl
SMILESCACTVS3.385OC1=C(C(=O)CCC1)C(=O)c2nc(Cl)c(Cl)c(NCc3ccc(Cl)cc3)c2Cl
SMILES_CANONICALOpenEye OEToolkits2.0.7c1cc(ccc1CNc2c(c(nc(c2Cl)Cl)C(=O)C3=C(CCCC3=O)O)Cl)Cl
SMILESOpenEye OEToolkits2.0.7c1cc(ccc1CNc2c(c(nc(c2Cl)Cl)C(=O)C3=C(CCCC3=O)O)Cl)Cl

222415

건을2024-07-10부터공개중

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