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M7W

Summary
Name:4-(4-ethanoylphenyl)-~{N}-[(6-methoxypyridin-3-yl)methyl]piperazine-1-carboxamide
Formula:C20 H24 N4 O3
Formal charge:0
Formula weight:368.43 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.74-(4-ethanoylphenyl)-~{N}-[(6-methoxypyridin-3-yl)methyl]piperazine-1-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C20H24N4O3/c1-15(25)17-4-6-18(7-5-17)23-9-11-24(12-10-23)20(26)22-14-16-3-8-19(27-2)21-13-16/h3-8,13H,9-12,14H2,1-2H3,(H,22,26)
InChIKeyInChI1.03IWZIKMPFQUSSMX-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385COc1ccc(CNC(=O)N2CCN(CC2)c3ccc(cc3)C(C)=O)cn1
SMILESCACTVS3.385COc1ccc(CNC(=O)N2CCN(CC2)c3ccc(cc3)C(C)=O)cn1
SMILES_CANONICALOpenEye OEToolkits2.0.7CC(=O)c1ccc(cc1)N2CCN(CC2)C(=O)NCc3ccc(nc3)OC
SMILESOpenEye OEToolkits2.0.7CC(=O)c1ccc(cc1)N2CCN(CC2)C(=O)NCc3ccc(nc3)OC

222624

数据于2024-07-17公开中

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