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KDS

Summary
Name:4-[(quinolin-3-yl)methyl]-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide
Formula:C23 H22 F3 N3 O2
Formal charge:0
Formula weight:429.435 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.014-[(quinolin-3-yl)methyl]-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide
OpenEye OEToolkits2.0.64-(quinolin-3-ylmethyl)-~{N}-[4-(trifluoromethyloxy)phenyl]piperidine-1-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01c4c(ccc(NC(=O)N1CCC(CC1)Cc3cnc2ccccc2c3)c4)OC(F)(F)F
InChIInChI1.03InChI=1S/C23H22F3N3O2/c24-23(25,26)31-20-7-5-19(6-8-20)28-22(30)29-11-9-16(10-12-29)13-17-14-18-3-1-2-4-21(18)27-15-17/h1-8,14-16H,9-13H2,(H,28,30)
InChIKeyInChI1.03QEMFEXNNXOLBRG-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385FC(F)(F)Oc1ccc(NC(=O)N2CCC(CC2)Cc3cnc4ccccc4c3)cc1
SMILESCACTVS3.385FC(F)(F)Oc1ccc(NC(=O)N2CCC(CC2)Cc3cnc4ccccc4c3)cc1
SMILES_CANONICALOpenEye OEToolkits2.0.6c1ccc2c(c1)cc(cn2)CC3CCN(CC3)C(=O)Nc4ccc(cc4)OC(F)(F)F
SMILESOpenEye OEToolkits2.0.6c1ccc2c(c1)cc(cn2)CC3CCN(CC3)C(=O)Nc4ccc(cc4)OC(F)(F)F

218853

PDB entries from 2024-04-24

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