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KMF

Summary
Name:N-[2-(4-acetylpiperazin-1-yl)ethyl]naphthalene-1-carboxamide
Formula:C19 H23 N3 O2
Formal charge:0
Formula weight:325.405 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.01N-[2-(4-acetylpiperazin-1-yl)ethyl]naphthalene-1-carboxamide
OpenEye OEToolkits2.0.7~{N}-[2-(4-ethanoylpiperazin-1-yl)ethyl]naphthalene-1-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01CC(=O)N1CCN(CCNC(=O)c2cccc3ccccc32)CC1
InChIInChI1.06InChI=1S/C19H23N3O2/c1-15(23)22-13-11-21(12-14-22)10-9-20-19(24)18-8-4-6-16-5-2-3-7-17(16)18/h2-8H,9-14H2,1H3,(H,20,24)
InChIKeyInChI1.06FZEKPYMSMRNNKF-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CC(=O)N1CCN(CCNC(=O)c2cccc3ccccc23)CC1
SMILESCACTVS3.385CC(=O)N1CCN(CCNC(=O)c2cccc3ccccc23)CC1
SMILES_CANONICALOpenEye OEToolkits2.0.7CC(=O)N1CCN(CC1)CCNC(=O)c2cccc3c2cccc3
SMILESOpenEye OEToolkits2.0.7CC(=O)N1CCN(CC1)CCNC(=O)c2cccc3c2cccc3

218853

PDB entries from 2024-04-24

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