
 CHEMBL91338

 60 62  0  0  0  0  0  0  0  0999 V2000
    3.8550    2.7551    2.6654 C   0  0  0  0  0
    3.0427    2.2916    1.5498 N   0  0  0  0  0
    1.9274    1.4296    1.8985 C   0  0  0  0  0
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    0.8322   -3.4945    1.2032 N   0  0  0  0  0
    1.0052   -4.8364    0.5837 C   0  0  0  0  0
    0.4461   -6.0036    1.4355 C   0  0  0  0  0
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   -2.5299   -8.3400   -0.9403 C   0  0  0  0  0
    4.7680    3.2601    2.3362 H   0  0  0  0  0
    4.1322    1.9015    3.2883 H   0  0  0  0  0
    3.2600    3.4592    3.2527 H   0  0  0  0  0
    1.1758    1.3829    1.1126 H   0  0  0  0  0
    1.4461    1.8125    2.8068 H   0  0  0  0  0
    2.3174    0.4278    2.1086 H   0  0  0  0  0
    2.4190    4.4226   -1.4880 H   0  0  0  0  0
    1.2280    3.9764   -3.6076 H   0  0  0  0  0
    0.7083    1.6397   -4.2601 H   0  0  0  0  0
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    4.1651   -1.2692   -1.1982 H   0  0  0  0  0
    2.5950   -1.5099   -1.9639 H   0  0  0  0  0
    3.2632   -2.1579    0.9438 H   0  0  0  0  0
    3.1019   -3.3098   -0.3909 H   0  0  0  0  0
    0.6778   -2.5012   -0.6709 H   0  0  0  0  0
    0.9328   -1.4539    0.7218 H   0  0  0  0  0
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   -2.3681   -9.4180   -1.0358 H   0  0  0  0  0
   -2.3126   -7.8854   -1.9117 H   0  0  0  0  0
  1  2  1  0  0  0
  1 30  1  0  0  0
  1 31  1  0  0  0
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  2  3  1  0  0  0
  3 33  1  0  0  0
  3 34  1  0  0  0
  3 35  1  0  0  0
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  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
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  9 38  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL91338

>  <PubChem CID>
10596968

>  <Formula>
C23H31N3O3

>  <Molecular Weight>
397.519000

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

>  <XlogP>
3.3

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CN(C)C(=O)C1=CC=CC=C1OCCCN2CCN(CC2)C3=CC=CC=C3OC

>  <Isomeric SMILES>
CN(C)C(=O)C1=CC=CC=C1OCCCN2CCN(CC2)C3=CC=CC=C3OC

>  <InChI Std. ID>
InChI=1S/C23H31N3O3/c1-24(2)23(27)19-9-4-6-11-21(19)29-18-8-13-25-14-16-26(17-15-25)20-10-5-7-12-22(20)28-3/h4-7,9-12H,8,13-18H2,1-3H3

>  <InChI Key>
QRDKICDWEPUWTK-UHFFFAOYSA-N

