
 2-{3-[4-(2,4-dichlorobenzyl)piperazin-1-yl]-3-oxopropyl}-1H-isoindole-1,3(2H)-dione

 51 54  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
2-{3-[4-(2,4-dichlorobenzyl)piperazin-1-yl]-3-oxopropyl}-1H-isoindole-1,3(2H)-dione

>  <PubChem CID>
1346216

>  <Formula>
C22H21Cl2N3O3

>  <Molecular Weight>
446.328000

>  <IUPAC Name>
2-[3-[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]-3-oxopropyl]isoindole-1,3-dione

>  <XlogP>
2.9

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1CN(CCN1CC2=C(C=C(C=C2)Cl)Cl)C(=O)CCN3C(=O)C4=CC=CC=C4C3=O

>  <Isomeric SMILES>
C1CN(CCN1CC2=C(C=C(C=C2)Cl)Cl)C(=O)CCN3C(=O)C4=CC=CC=C4C3=O

>  <InChI Std. ID>
InChI=1S/C22H21Cl2N3O3/c23-16-6-5-15(19(24)13-16)14-25-9-11-26(12-10-25)20(28)7-8-27-21(29)17-3-1-2-4-18(17)22(27)30/h1-6,13H,7-12,14H2

>  <InChI Key>
ADWVFVWRGKYLDS-UHFFFAOYSA-N

