
 CHEMBL330060

 61 63  0  0  0  0  0  0  0  0999 V2000
    8.8971   -0.6471    1.4136 C   0  0  0  0  0
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    8.1076    0.0764    1.6486 H   0  0  0  0  0
    9.7365   -0.1231    0.9487 H   0  0  0  0  0
    9.2613   -1.1169    2.3290 H   0  0  0  0  0
    9.2204   -1.0564   -1.2778 H   0  0  0  0  0
    8.8054   -2.7829   -1.2481 H   0  0  0  0  0
   10.2149   -2.2001   -0.3342 H   0  0  0  0  0
    7.7438   -2.3632    3.2280 H   0  0  0  0  0
    6.3401   -1.7590    5.1586 H   0  0  0  0  0
    3.9834   -1.0627    4.8062 H   0  0  0  0  0
    3.0164   -1.0678    2.5527 H   0  0  0  0  0
    4.8697   -2.3061   -0.3524 H   0  0  0  0  0
    2.1281   -1.6142    0.4070 H   0  0  0  0  0
    2.7602   -3.1644    1.0074 H   0  0  0  0  0
    3.3725   -3.8244   -1.3196 H   0  0  0  0  0
    2.7954   -2.2864   -1.9179 H   0  0  0  0  0
    1.1462   -3.9940   -2.3456 H   0  0  0  0  0
    0.5094   -2.7622   -1.2634 H   0  0  0  0  0
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    1.0886   -6.5408    1.6756 H   0  0  0  0  0
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   -3.4933   -8.1576    3.3444 H   0  0  0  0  0
   -4.6136   -8.6964    2.0313 H   0  0  0  0  0
   -4.3692   -6.9797    2.3598 H   0  0  0  0  0
  1  2  1  0  0  0
  1 30  1  0  0  0
  1 31  1  0  0  0
  1 32  1  0  0  0
  2  4  1  0  0  0
  2  3  1  0  0  0
  3 33  1  0  0  0
  3 34  1  0  0  0
  3 35  1  0  0  0
  4  6  1  0  0  0
  4  5  2  0  0  0
  6  7  2  0  0  0
  6 11  1  0  0  0
  7  8  1  0  0  0
  7 36  1  0  0  0
  8  9  2  0  0  0
  8 37  1  0  0  0
  9 10  1  0  0  0
  9 38  1  0  0  0
 10 11  2  0  0  0
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 29 59  1  0  0  0
 29 60  1  0  0  0
 29 61  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL330060

>  <PubChem CID>
10572854

>  <Formula>
C23H32N4O2

>  <Molecular Weight>
396.535000

>  <IUPAC Name>
2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]-N,N-dimethylbenzamide

>  <XlogP>
3.9

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CN(C)C(=O)C1=CC=CC=C1NCCCN2CCN(CC2)C3=CC=CC=C3OC

>  <Isomeric SMILES>
CN(C)C(=O)C1=CC=CC=C1NCCCN2CCN(CC2)C3=CC=CC=C3OC

>  <InChI Std. ID>
InChI=1S/C23H32N4O2/c1-25(2)23(28)19-9-4-5-10-20(19)24-13-8-14-26-15-17-27(18-16-26)21-11-6-7-12-22(21)29-3/h4-7,9-12,24H,8,13-18H2,1-3H3

>  <InChI Key>
GEDPLZQOWAXARY-UHFFFAOYSA-N

