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O3O

Summary
Name:2-chloranyl-~{N}-[2-[1-[4-[(4-chlorophenyl)amino]piperidin-4-yl]carbonylpiperidin-4-yl]ethyl]ethanamide
Formula:C21 H30 Cl2 N4 O2
Formal charge:0
Formula weight:441.395 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits3.1.0.02-chloranyl-~{N}-[2-[1-[4-[(4-chlorophenyl)amino]piperidin-4-yl]carbonylpiperidin-4-yl]ethyl]ethanamide

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C21H30Cl2N4O2/c22-15-19(28)25-10-5-16-6-13-27(14-7-16)20(29)21(8-11-24-12-9-21)26-18-3-1-17(23)2-4-18/h1-4,16,24,26H,5-15H2,(H,25,28)
InChIKeyInChI1.06WTZAOHLMAJAECI-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385ClCC(=O)NCCC1CCN(CC1)C(=O)C2(CCNCC2)Nc3ccc(Cl)cc3
SMILESCACTVS3.385ClCC(=O)NCCC1CCN(CC1)C(=O)C2(CCNCC2)Nc3ccc(Cl)cc3
SMILES_CANONICALOpenEye OEToolkits3.1.0.0c1cc(ccc1NC2(CCNCC2)C(=O)N3CCC(CC3)CCNC(=O)CCl)Cl
SMILESOpenEye OEToolkits3.1.0.0c1cc(ccc1NC2(CCNCC2)C(=O)N3CCC(CC3)CCNC(=O)CCl)Cl

223532

건을2024-08-07부터공개중

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