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BY7

Summary
Name:6-(2-{3-[3-(dimethylamino)propyl]-5-(trifluoromethyl)phenyl}ethyl)-4-methylpyridin-2-amine
Formula:C20 H26 F3 N3
Formal charge:0
Formula weight:365.436 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.016-(2-{3-[3-(dimethylamino)propyl]-5-(trifluoromethyl)phenyl}ethyl)-4-methylpyridin-2-amine
OpenEye OEToolkits2.0.66-[2-[3-[3-(dimethylamino)propyl]-5-(trifluoromethyl)phenyl]ethyl]-4-methyl-pyridin-2-amine

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01FC(F)(F)c1cc(CCCN(C)C)cc(c1)CCc2nc(N)cc(c2)C
InChIInChI1.03InChI=1S/C20H26F3N3/c1-14-9-18(25-19(24)10-14)7-6-16-11-15(5-4-8-26(2)3)12-17(13-16)20(21,22)23/h9-13H,4-8H2,1-3H3,(H2,24,25)
InChIKeyInChI1.03CTKGSJUPWJLHAK-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CN(C)CCCc1cc(CCc2cc(C)cc(N)n2)cc(c1)C(F)(F)F
SMILESCACTVS3.385CN(C)CCCc1cc(CCc2cc(C)cc(N)n2)cc(c1)C(F)(F)F
SMILES_CANONICALOpenEye OEToolkits2.0.6Cc1cc(nc(c1)N)CCc2cc(cc(c2)C(F)(F)F)CCCN(C)C
SMILESOpenEye OEToolkits2.0.6Cc1cc(nc(c1)N)CCc2cc(cc(c2)C(F)(F)F)CCCN(C)C

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건을2024-07-17부터공개중

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