
 CHEMBL339960

 56 59  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL339960

>  <PubChem CID>
10411237

>  <Formula>
C23H26Cl2N4O

>  <Molecular Weight>
445.388000

>  <IUPAC Name>
N-[4-[4-(2,4-dichlorophenyl)piperazin-1-yl]butyl]-1H-indole-2-carboxamide

>  <XlogP>
5.3

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1CN(CCN1CCCCNC(=O)C2=CC3=CC=CC=C3N2)C4=C(C=C(C=C4)Cl)Cl

>  <Isomeric SMILES>
C1CN(CCN1CCCCNC(=O)C2=CC3=CC=CC=C3N2)C4=C(C=C(C=C4)Cl)Cl

>  <InChI Std. ID>
InChI=1S/C23H26Cl2N4O/c24-18-7-8-22(19(25)16-18)29-13-11-28(12-14-29)10-4-3-9-26-23(30)21-15-17-5-1-2-6-20(17)27-21/h1-2,5-8,15-16,27H,3-4,9-14H2,(H,26,30)

>  <InChI Key>
CYNHGJORJGHXEX-UHFFFAOYSA-N

