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NF9

Summary
Name:2-chloranyl-N-[2-[1-[4-[(4-chlorophenyl)amino]oxan-4-yl]carbonylpiperidin-4-yl]ethyl]ethanamide
Formula:C21 H29 Cl2 N3 O3
Formal charge:0
Formula weight:442.379 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.72-chloranyl-~{N}-[2-[1-[4-[(4-chlorophenyl)amino]oxan-4-yl]carbonylpiperidin-4-yl]ethyl]ethanamide

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C21H29Cl2N3O3/c22-15-19(27)24-10-5-16-6-11-26(12-7-16)20(28)21(8-13-29-14-9-21)25-18-3-1-17(23)2-4-18/h1-4,16,25H,5-15H2,(H,24,27)
InChIKeyInChI1.06CERKFXQSEPXGMS-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385ClCC(=O)NCCC1CCN(CC1)C(=O)C2(CCOCC2)Nc3ccc(Cl)cc3
SMILESCACTVS3.385ClCC(=O)NCCC1CCN(CC1)C(=O)C2(CCOCC2)Nc3ccc(Cl)cc3
SMILES_CANONICALOpenEye OEToolkits2.0.7c1cc(ccc1NC2(CCOCC2)C(=O)N3CCC(CC3)CCNC(=O)CCl)Cl
SMILESOpenEye OEToolkits2.0.7c1cc(ccc1NC2(CCOCC2)C(=O)N3CCC(CC3)CCNC(=O)CCl)Cl

223532

PDB entries from 2024-08-07

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