
 CHEMBL332697

 57 60  0  0  0  0  0  0  0  0999 V2000
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M  CHG  2  29   1  31  -1
M  END

>  <Chemical Name>
CHEMBL332697

>  <PubChem CID>
10895676

>  <Formula>
C23H24N4O6

>  <Molecular Weight>
452.467000

>  <IUPAC Name>
3-[1-[(E)-3-(4,5-dimethoxy-2-nitrophenyl)prop-2-enoyl]piperidin-4-yl]-1H-benzimidazol-2-one

>  <XlogP>
2.7

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
COC1=C(C=C(C(=C1)C=CC(=O)N2CCC(CC2)N3C4=CC=CC=C4NC3=O)[N+](=O)[O-])OC

>  <Isomeric SMILES>
COC1=C(C=C(C(=C1)/C=C/C(=O)N2CCC(CC2)N3C4=CC=CC=C4NC3=O)[N+](=O)[O-])OC

>  <InChI Std. ID>
InChI=1S/C23H24N4O6/c1-32-20-13-15(19(27(30)31)14-21(20)33-2)7-8-22(28)25-11-9-16(10-12-25)26-18-6-4-3-5-17(18)24-23(26)29/h3-8,13-14,16H,9-12H2,1-2H3,(H,24,29)/b8-7+

>  <InChI Key>
AGJHOJDCPSVSPB-BQYQJAHWSA-N

