
 CHEMBL3215754

 51 52  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL3215754

>  <PubChem CID>
90664393

>  <Formula>
C22H22Cl2N4O

>  <Molecular Weight>
429.345000

>  <IUPAC Name>
2-[4-(naphthalene-2-carbonyl)piperazin-1-yl]-2-pyridin-3-ylacetonitrile;dihydrochloride

>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1CN(CCN1C(C#N)C2=CN=CC=C2)C(=O)C3=CC4=CC=CC=C4C=C3.Cl.Cl

>  <Isomeric SMILES>
C1CN(CCN1C(C#N)C2=CN=CC=C2)C(=O)C3=CC4=CC=CC=C4C=C3.Cl.Cl

>  <InChI Std. ID>
InChI=1S/C22H20N4O.2ClH/c23-15-21(20-6-3-9-24-16-20)25-10-12-26(13-11-25)22(27)19-8-7-17-4-1-2-5-18(17)14-19;;/h1-9,14,16,21H,10-13H2;2*1H

>  <InChI Key>
CZDNPWMSHFOKPC-UHFFFAOYSA-N

