
 CHEMBL2322844

 54 56  0  0  0  0  0  0  0  0999 V2000
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  7 32  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL2322844

>  <PubChem CID>
57840435

>  <Formula>
C20H26Cl2N4O2

>  <Molecular Weight>
425.354000

>  <IUPAC Name>
1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(4-chloro-5-methyl-3-propan-2-ylpyrazol-1-yl)ethanone

>  <XlogP>
4.2

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC1=C(C(=NN1CC(=O)N2CCN(CC2)C3=CC(=C(C=C3)Cl)OC)C(C)C)Cl

>  <Isomeric SMILES>
CC1=C(C(=NN1CC(=O)N2CCN(CC2)C3=CC(=C(C=C3)Cl)OC)C(C)C)Cl

>  <InChI Std. ID>
InChI=1S/C20H26Cl2N4O2/c1-13(2)20-19(22)14(3)26(23-20)12-18(27)25-9-7-24(8-10-25)15-5-6-16(21)17(11-15)28-4/h5-6,11,13H,7-10,12H2,1-4H3

>  <InChI Key>
CEWDBXQYSHILEM-UHFFFAOYSA-N

