KMF

N-[2-(4-acetylpiperazin-1-yl)ethyl]naphthalene-1-carboxamide

Created:2023-08-14
Last modified:  2024-09-27

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Chemical Details

Formal Charge0
Atom Count47
Chiral Atom Count0
Bond Count49
Aromatic Bond Count11
2D diagram of KMF

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Chemical Component Summary

NameN-[2-(4-acetylpiperazin-1-yl)ethyl]naphthalene-1-carboxamide
Systematic Name (OpenEye OEToolkits)~{N}-[2-(4-ethanoylpiperazin-1-yl)ethyl]naphthalene-1-carboxamide
FormulaC19 H23 N3 O2
Molecular Weight325.405
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01CC(=O)N1CCN(CCNC(=O)c2cccc3ccccc32)CC1
SMILESCACTVS3.385CC(=O)N1CCN(CCNC(=O)c2cccc3ccccc23)CC1
SMILESOpenEye OEToolkits2.0.7CC(=O)N1CCN(CC1)CCNC(=O)c2cccc3c2cccc3
Canonical SMILESCACTVS3.385 CC(=O)N1CCN(CCNC(=O)c2cccc3ccccc23)CC1
Canonical SMILESOpenEye OEToolkits2.0.7 CC(=O)N1CCN(CC1)CCNC(=O)c2cccc3c2cccc3
InChIInChI1.06 InChI=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)
InChIKeyInChI1.06 FZEKPYMSMRNNKF-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 169452747