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O4R

Summary
Name:2-chloranyl-~{N}-[[1-(1-phenoxycyclopentyl)carbonylpiperidin-4-yl]methyl]ethanamide
Formula:C20 H27 Cl N2 O3
Formal charge:0
Formula weight:378.893 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits3.1.0.02-chloranyl-~{N}-[[1-(1-phenoxycyclopentyl)carbonylpiperidin-4-yl]methyl]ethanamide

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C20H27ClN2O3/c21-14-18(24)22-15-16-8-12-23(13-9-16)19(25)20(10-4-5-11-20)26-17-6-2-1-3-7-17/h1-3,6-7,16H,4-5,8-15H2,(H,22,24)
InChIKeyInChI1.06NZWJTMJACDAPAL-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385ClCC(=O)NCC1CCN(CC1)C(=O)C2(CCCC2)Oc3ccccc3
SMILESCACTVS3.385ClCC(=O)NCC1CCN(CC1)C(=O)C2(CCCC2)Oc3ccccc3
SMILES_CANONICALOpenEye OEToolkits3.1.0.0c1ccc(cc1)OC2(CCCC2)C(=O)N3CCC(CC3)CNC(=O)CCl
SMILESOpenEye OEToolkits3.1.0.0c1ccc(cc1)OC2(CCCC2)C(=O)N3CCC(CC3)CNC(=O)CCl

222415

PDB entries from 2024-07-10

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