
 CHEMBL404297

 62 65  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL404297

>  <PubChem CID>
44448372

>  <Formula>
C26H30ClN3O2

>  <Molecular Weight>
451.995000

>  <IUPAC Name>
N-[1-[(5-chloro-2-phenylmethoxyphenyl)methyl]-5-methylpyrazol-3-yl]-2-cyclohexylacetamide

>  <XlogP>
6.5

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC1=CC(=NN1CC2=C(C=CC(=C2)Cl)OCC3=CC=CC=C3)NC(=O)CC4CCCCC4

>  <Isomeric SMILES>
CC1=CC(=NN1CC2=C(C=CC(=C2)Cl)OCC3=CC=CC=C3)NC(=O)CC4CCCCC4

>  <InChI Std. ID>
InChI=1S/C26H30ClN3O2/c1-19-14-25(28-26(31)15-20-8-4-2-5-9-20)29-30(19)17-22-16-23(27)12-13-24(22)32-18-21-10-6-3-7-11-21/h3,6-7,10-14,16,20H,2,4-5,8-9,15,17-18H2,1H3,(H,28,29,31)

>  <InChI Key>
BLZBWEDSYVXFDZ-UHFFFAOYSA-N

