
 CHEMBL152756

 62 65  0  0  0  0  0  0  0  0999 V2000
    2.8278    2.1052   -7.3865 C   0  0  0  0  0
    3.8347    2.8165   -8.0977 O   0  0  0  0  0
    5.1243    2.5620   -7.7222 C   0  0  0  0  0
    6.0901    2.8488   -8.6903 C   0  0  0  0  0
    7.4430    2.6229   -8.4360 C   0  0  0  0  0
    7.8437    2.1319   -7.1932 C   0  0  0  0  0
    6.8856    1.8817   -6.2013 C   0  0  0  0  0
    5.5241    2.0847   -6.4737 C   0  0  0  0  0
    7.2659    1.3814   -4.8537 C   0  0  0  0  0
    6.4860    0.6758   -4.2169 O   0  0  0  0  0
    8.4951    1.7820   -4.3771 N   0  0  0  0  0
    9.0006    1.3307   -3.1001 C   0  0  0  0  0
    9.7728    0.0208   -3.2408 C   0  0  0  0  0
   10.2787   -0.4657   -1.8826 C   0  0  0  0  0
   11.1187   -1.7480   -1.9750 C   0  0  0  0  0
   12.3247   -1.6339   -2.8132 N   0  0  0  0  0
   13.3127   -0.6571   -2.2938 C   0  0  0  0  0
   14.0105   -1.0683   -0.9740 C   0  0  0  0  0
   14.6580   -2.3922   -1.1347 N   0  0  0  0  0
   13.7323   -3.4289   -1.6424 C   0  0  0  0  0
   13.0159   -2.9464   -2.9302 C   0  0  0  0  0
   15.4538   -2.7279   -0.0101 C   0  0  0  0  0
   14.9846   -3.6050    0.9845 C   0  0  0  0  0
   15.7480   -3.9047    2.1112 C   0  0  0  0  0
   17.0003   -3.3256    2.2756 C   0  0  0  0  0
   17.5134   -2.4486    1.3131 C   0  0  0  0  0
   18.7818   -1.8729    1.4965 C   0  0  0  0  0
   19.3222   -1.0075    0.5472 C   0  0  0  0  0
   18.6063   -0.7191   -0.6059 C   0  0  0  0  0
   17.3466   -1.2888   -0.8023 C   0  0  0  0  0
   16.7526   -2.1484    0.1524 C   0  0  0  0  0
    1.8721    2.2929   -7.8860 H   0  0  0  0  0
    2.7384    2.4635   -6.3560 H   0  0  0  0  0
    3.0132    1.0254   -7.4145 H   0  0  0  0  0
    5.7795    3.2326   -9.6596 H   0  0  0  0  0
    8.1800    2.8205   -9.2095 H   0  0  0  0  0
    8.8968    1.9276   -7.0238 H   0  0  0  0  0
    4.8037    1.8794   -5.6881 H   0  0  0  0  0
    9.0634    2.4261   -4.9104 H   0  0  0  0  0
    8.1661    1.2131   -2.3988 H   0  0  0  0  0
    9.6577    2.1205   -2.7157 H   0  0  0  0  0
   10.6092    0.1725   -3.9338 H   0  0  0  0  0
    9.1290   -0.7462   -3.6884 H   0  0  0  0  0
    9.4150   -0.6693   -1.2359 H   0  0  0  0  0
   10.8452    0.3289   -1.3833 H   0  0  0  0  0
   10.4733   -2.5298   -2.3954 H   0  0  0  0  0
   11.3630   -2.0667   -0.9556 H   0  0  0  0  0
   12.8616    0.3333   -2.1824 H   0  0  0  0  0
   14.0840   -0.5288   -3.0659 H   0  0  0  0  0
   14.7438   -0.2921   -0.7299 H   0  0  0  0  0
   13.2834   -1.0966   -0.1532 H   0  0  0  0  0
   14.2925   -4.3425   -1.8754 H   0  0  0  0  0
   12.9692   -3.6805   -0.8975 H   0  0  0  0  0
   13.7593   -2.8637   -3.7337 H   0  0  0  0  0
   12.3059   -3.7137   -3.2630 H   0  0  0  0  0
   14.0012   -4.0577    0.9158 H   0  0  0  0  0
   15.3588   -4.5845    2.8646 H   0  0  0  0  0
   17.5775   -3.5702    3.1644 H   0  0  0  0  0
   19.3640   -2.0994    2.3867 H   0  0  0  0  0
   20.3039   -0.5704    0.7057 H   0  0  0  0  0
   19.0247   -0.0561   -1.3582 H   0  0  0  0  0
   16.8169   -1.0646   -1.7258 H   0  0  0  0  0
  1  2  1  0  0  0
  1 32  1  0  0  0
  1 33  1  0  0  0
  1 34  1  0  0  0
  2  3  1  0  0  0
  3  4  2  0  0  0
  3  8  1  0  0  0
  4  5  1  0  0  0
  4 35  1  0  0  0
  5  6  2  0  0  0
  5 36  1  0  0  0
  6  7  1  0  0  0
  6 37  1  0  0  0
  7  8  2  0  0  0
  7  9  1  0  0  0
  8 38  1  0  0  0
  9 11  1  0  0  0
  9 10  2  0  0  0
 11 12  1  0  0  0
 11 39  1  0  0  0
 12 13  1  0  0  0
 12 40  1  0  0  0
 12 41  1  0  0  0
 13 14  1  0  0  0
 13 42  1  0  0  0
 13 43  1  0  0  0
 14 15  1  0  0  0
 14 44  1  0  0  0
 14 45  1  0  0  0
 15 16  1  0  0  0
 15 46  1  0  0  0
 15 47  1  0  0  0
 16 21  1  0  0  0
 16 17  1  0  0  0
 17 18  1  0  0  0
 17 48  1  0  0  0
 17 49  1  0  0  0
 18 19  1  0  0  0
 18 50  1  0  0  0
 18 51  1  0  0  0
 19 20  1  0  0  0
 19 22  1  0  0  0
 20 21  1  0  0  0
 20 52  1  0  0  0
 20 53  1  0  0  0
 21 54  1  0  0  0
 21 55  1  0  0  0
 22 23  2  0  0  0
 22 31  1  0  0  0
 23 24  1  0  0  0
 23 56  1  0  0  0
 24 25  2  0  0  0
 24 57  1  0  0  0
 25 26  1  0  0  0
 25 58  1  0  0  0
 26 27  2  0  0  0
 26 31  1  0  0  0
 27 28  1  0  0  0
 27 59  1  0  0  0
 28 29  2  0  0  0
 28 60  1  0  0  0
 29 30  1  0  0  0
 29 61  1  0  0  0
 30 31  2  0  0  0
 30 62  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL152756

>  <PubChem CID>
11811808

>  <Formula>
C26H31N3O2

>  <Molecular Weight>
417.553000

>  <IUPAC Name>
3-methoxy-N-[4-(4-naphthalen-1-ylpiperazin-1-yl)butyl]benzamide

>  <XlogP>
4.8

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
COC1=CC=CC(=C1)C(=O)NCCCCN2CCN(CC2)C3=CC=CC4=CC=CC=C43

>  <Isomeric SMILES>
COC1=CC=CC(=C1)C(=O)NCCCCN2CCN(CC2)C3=CC=CC4=CC=CC=C43

>  <InChI Std. ID>
InChI=1S/C26H31N3O2/c1-31-23-11-6-10-22(20-23)26(30)27-14-4-5-15-28-16-18-29(19-17-28)25-13-7-9-21-8-2-3-12-24(21)25/h2-3,6-13,20H,4-5,14-19H2,1H3,(H,27,30)

>  <InChI Key>
CQGCCVPXYLTEHT-UHFFFAOYSA-N

