
 CHEMBL258251

 64 67  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL258251

>  <PubChem CID>
44449202

>  <Formula>
C26H30Cl2N4O2

>  <Molecular Weight>
501.452000

>  <IUPAC Name>
2-(3,4-dichloro-N-[2-[2-(morpholin-4-ylmethyl)-3-phenylpiperidin-1-yl]-2-oxoethyl]anilino)acetonitrile

>  <XlogP>
4.6

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1CC(C(N(C1)C(=O)CN(CC#N)C2=CC(=C(C=C2)Cl)Cl)CN3CCOCC3)C4=CC=CC=C4

>  <Isomeric SMILES>
C1CC(C(N(C1)C(=O)CN(CC#N)C2=CC(=C(C=C2)Cl)Cl)CN3CCOCC3)C4=CC=CC=C4

>  <InChI Std. ID>
InChI=1S/C26H30Cl2N4O2/c27-23-9-8-21(17-24(23)28)31(12-10-29)19-26(33)32-11-4-7-22(20-5-2-1-3-6-20)25(32)18-30-13-15-34-16-14-30/h1-3,5-6,8-9,17,22,25H,4,7,11-16,18-19H2

>  <InChI Key>
BFPVIFSFUVSFRI-UHFFFAOYSA-N

