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QPV

Summary
Name:3-chloro-N-{4-[1-(propylcarbamoyl)cyclobutyl]phenyl}benzamide
Formula:C21 H23 Cl N2 O2
Formal charge:0
Formula weight:370.873 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.013-chloro-N-{4-[1-(propylcarbamoyl)cyclobutyl]phenyl}benzamide
OpenEye OEToolkits2.0.73-chloranyl-~{N}-[4-[1-(propylcarbamoyl)cyclobutyl]phenyl]benzamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01C(C3(c1ccc(cc1)NC(c2cccc(c2)Cl)=O)CCC3)(NCCC)=O
InChIInChI1.03InChI=1S/C21H23ClN2O2/c1-2-13-23-20(26)21(11-4-12-21)16-7-9-18(10-8-16)24-19(25)15-5-3-6-17(22)14-15/h3,5-10,14H,2,4,11-13H2,1H3,(H,23,26)(H,24,25)
InChIKeyInChI1.03UIZYWUYIFDOVIY-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CCCNC(=O)C1(CCC1)c2ccc(NC(=O)c3cccc(Cl)c3)cc2
SMILESCACTVS3.385CCCNC(=O)C1(CCC1)c2ccc(NC(=O)c3cccc(Cl)c3)cc2
SMILES_CANONICALOpenEye OEToolkits2.0.7CCCNC(=O)C1(CCC1)c2ccc(cc2)NC(=O)c3cccc(c3)Cl
SMILESOpenEye OEToolkits2.0.7CCCNC(=O)C1(CCC1)c2ccc(cc2)NC(=O)c3cccc(c3)Cl

222624

数据于2024-07-17公开中

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