
 CHEMBL106807

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

>  <Chemical Name>
CHEMBL106807

>  <PubChem CID>
44337731

>  <Formula>
C24H31ClN4O2

>  <Molecular Weight>
442.988000

>  <IUPAC Name>
2-[4-chloro-3-(4-methylpiperazin-1-yl)phenoxy]-1-[4-(2-methylphenyl)piperazin-1-yl]ethanone

>  <XlogP>
3.9

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC1=CC=CC=C1N2CCN(CC2)C(=O)COC3=CC(=C(C=C3)Cl)N4CCN(CC4)C

>  <Isomeric SMILES>
CC1=CC=CC=C1N2CCN(CC2)C(=O)COC3=CC(=C(C=C3)Cl)N4CCN(CC4)C

>  <InChI Std. ID>
InChI=1S/C24H31ClN4O2/c1-19-5-3-4-6-22(19)27-13-15-29(16-14-27)24(30)18-31-20-7-8-21(25)23(17-20)28-11-9-26(2)10-12-28/h3-8,17H,9-16,18H2,1-2H3

>  <InChI Key>
BBJVEASJHDPHCO-UHFFFAOYSA-N

