
 CHEMBL225571

 67 70  0  0  0  0  0  0  0  0999 V2000
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M  CHG  2  31   1  33  -1
M  END

>  <Chemical Name>
CHEMBL225571

>  <PubChem CID>
11329254

>  <Formula>
C26H34N4O3

>  <Molecular Weight>
450.583000

>  <IUPAC Name>
6-[4-(2-nitrophenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide

>  <XlogP>
4.3

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1CC(C2=CC=CC=C2C1)NC(=O)CCCCCN3CCN(CC3)C4=CC=CC=C4[N+](=O)[O-]

>  <Isomeric SMILES>
C1CC(C2=CC=CC=C2C1)NC(=O)CCCCCN3CCN(CC3)C4=CC=CC=C4[N+](=O)[O-]

>  <InChI Std. ID>
InChI=1S/C26H34N4O3/c31-26(27-23-12-8-10-21-9-3-4-11-22(21)23)15-2-1-7-16-28-17-19-29(20-18-28)24-13-5-6-14-25(24)30(32)33/h3-6,9,11,13-14,23H,1-2,7-8,10,12,15-20H2,(H,27,31)

>  <InChI Key>
ZBUOQRCOVPVZEE-UHFFFAOYSA-N

