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SummaryGeometryRelated PDB entries

NUO

Summary
Name:2-chloranyl-~{N}-[[1-(1-phenylazanylcyclobutyl)carbonylpiperidin-4-yl]methyl]ethanamide
Formula:C19 H26 Cl N3 O2
Formal charge:0
Formula weight:363.882 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.72-chloranyl-~{N}-[[1-(1-phenylazanylcyclobutyl)carbonylpiperidin-4-yl]methyl]ethanamide

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C19H26ClN3O2/c20-13-17(24)21-14-15-7-11-23(12-8-15)18(25)19(9-4-10-19)22-16-5-2-1-3-6-16/h1-3,5-6,15,22H,4,7-14H2,(H,21,24)
InChIKeyInChI1.06FTHNPKJZIJMFGT-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385ClCC(=O)NCC1CCN(CC1)C(=O)C2(CCC2)Nc3ccccc3
SMILESCACTVS3.385ClCC(=O)NCC1CCN(CC1)C(=O)C2(CCC2)Nc3ccccc3
SMILES_CANONICALOpenEye OEToolkits2.0.7c1ccc(cc1)NC2(CCC2)C(=O)N3CCC(CC3)CNC(=O)CCl
SMILESOpenEye OEToolkits2.0.7c1ccc(cc1)NC2(CCC2)C(=O)N3CCC(CC3)CNC(=O)CCl

248636

PDB entries from 2026-02-04

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