ZU4

1-(2-CHLOROBENZYL)-4-HEXYLPYRIDIN-2(1H)-ONE

Created:2011-07-13
Last modified:  2014-09-05

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Chemical Details

Formal Charge0
Atom Count43
Chiral Atom Count0
Bond Count44
Aromatic Bond Count6
2D diagram of ZU4

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Chemical Component Summary

Name1-(2-CHLOROBENZYL)-4-HEXYLPYRIDIN-2(1H)-ONE
Systematic Name (OpenEye OEToolkits)1-[(2-chlorophenyl)methyl]-4-hexyl-pyridin-2-one
FormulaC18 H22 Cl N O
Molecular Weight303.826
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Clc1c(cccc1)CN2C=CC(=CC2=O)CCCCCC
SMILESCACTVS3.385CCCCCCC1=CC(=O)N(Cc2ccccc2Cl)C=C1
SMILESOpenEye OEToolkits1.9.2CCCCCCC1=CC(=O)N(C=C1)Cc2ccccc2Cl
Canonical SMILESCACTVS3.385 CCCCCCC1=CC(=O)N(Cc2ccccc2Cl)C=C1
Canonical SMILESOpenEye OEToolkits1.9.2 CCCCCCC1=CC(=O)N(C=C1)Cc2ccccc2Cl
InChIInChI1.03 InChI=1S/C18H22ClNO/c1-2-3-4-5-8-15-11-12-20(18(21)13-15)14-16-9-6-7-10-17(16)19/h6-7,9-13H,2-5,8,14H2,1H3
InChIKeyInChI1.03 PJBRBZYHOXOPFM-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 54765333