
 SCHEMBL4376343

 53 53  0  0  0  0  0  0  0  0999 V2000
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    4.8206    2.1893   -2.1560 C   0  0  0  0  0
    5.1894    2.4372   -0.6778 C   0  0  0  0  0
    6.3314    0.9374   -3.6705 C   0  0  0  0  0
    6.5243    1.9869   -4.3075 O   0  0  0  0  0
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   10.2050    0.4951   -7.3324 C   0  0  0  0  0
   13.4379    2.1067   -9.1497 Cl  0  0  0  0  0
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    2.7127    3.1548    0.0313 H   0  0  0  0  0
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M  END

>  <Chemical Name>
SCHEMBL4376343

>  <PubChem CID>
18456228

>  <Formula>
C19H28Cl2N2O2

>  <Molecular Weight>
387.345000

>  <IUPAC Name>
1-(4-chlorophenyl)-4-(4-pentan-3-ylpiperazin-1-yl)butane-1,4-dione;hydrochloride

>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CCC(CC)N1CCN(CC1)C(=O)CCC(=O)C2=CC=C(C=C2)Cl.Cl

>  <Isomeric SMILES>
CCC(CC)N1CCN(CC1)C(=O)CCC(=O)C2=CC=C(C=C2)Cl.Cl

>  <InChI Std. ID>
InChI=1S/C19H27ClN2O2.ClH/c1-3-17(4-2)21-11-13-22(14-12-21)19(24)10-9-18(23)15-5-7-16(20)8-6-15;/h5-8,17H,3-4,9-14H2,1-2H3;1H

>  <InChI Key>
AAPCIKCEIFOIKR-UHFFFAOYSA-N

