
 CHEMBL1796042

 64 67  0  0  0  0  0  0  0  0999 V2000
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  1 35  1  0  0  0
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  6  7  1  0  0  0
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M  CHG  2  32   1  34  -1
M  END

>  <Chemical Name>
CHEMBL1796042

>  <PubChem CID>
53328508

>  <Formula>
C25H30N4O5

>  <Molecular Weight>
466.538000

>  <IUPAC Name>
1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-4-(4-nitrophenyl)piperidine-2,6-dione

>  <XlogP>
2.7

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
COC1=CC=CC=C1N2CCN(CC2)CCCN3C(=O)CC(CC3=O)C4=CC=C(C=C4)[N+](=O)[O-]

>  <Isomeric SMILES>
COC1=CC=CC=C1N2CCN(CC2)CCCN3C(=O)CC(CC3=O)C4=CC=C(C=C4)[N+](=O)[O-]

>  <InChI Std. ID>
InChI=1S/C25H30N4O5/c1-34-23-6-3-2-5-22(23)27-15-13-26(14-16-27)11-4-12-28-24(30)17-20(18-25(28)31)19-7-9-21(10-8-19)29(32)33/h2-3,5-10,20H,4,11-18H2,1H3

>  <InChI Key>
AJUJJQYPOFVICO-UHFFFAOYSA-N

