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311

Summary
Name:(3,3-dimethylpiperidin-1-yl)(6-(3-fluoro-4-methylphenyl)pyridin-2-yl)methanone
Formula:C20 H23 F N2 O
Formal charge:0
Formula weight:326.408 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.042-[(3,3-dimethylpiperidin-1-yl)carbonyl]-6-(3-fluoro-4-methylphenyl)pyridine
OpenEye OEToolkits1.5.0(3,3-dimethylpiperidin-1-yl)-[6-(3-fluoro-4-methyl-phenyl)pyridin-2-yl]methanone

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(c2nc(c1ccc(c(F)c1)C)ccc2)N3CCCC(C)(C3)C
SMILES_CANONICALCACTVS3.341Cc1ccc(cc1F)c2cccc(n2)C(=O)N3CCCC(C)(C)C3
SMILESCACTVS3.341Cc1ccc(cc1F)c2cccc(n2)C(=O)N3CCCC(C)(C)C3
SMILES_CANONICALOpenEye OEToolkits1.5.0Cc1ccc(cc1F)c2cccc(n2)C(=O)N3CCCC(C3)(C)C
SMILESOpenEye OEToolkits1.5.0Cc1ccc(cc1F)c2cccc(n2)C(=O)N3CCCC(C3)(C)C
InChIInChI1.03InChI=1S/C20H23FN2O/c1-14-8-9-15(12-16(14)21)17-6-4-7-18(22-17)19(24)23-11-5-10-20(2,3)13-23/h4,6-9,12H,5,10-11,13H2,1-3H3
InChIKeyInChI1.03SIDDLTBLAQYZIZ-UHFFFAOYSA-N

223532

数据于2024-08-07公开中

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