
 CHEMBL1928123

 70 72  0  0  0  0  0  0  0  0999 V2000
    4.8112   -1.5482   -3.8448 C   0  0  0  0  0
    4.7888   -1.9415   -2.3811 C   0  0  0  0  0
    4.9403   -0.7619   -1.5970 O   0  0  0  0  0
    5.0431   -1.0591   -0.2002 C   0  0  0  0  0
    5.2730    0.2379    0.5747 C   0  0  0  0  0
    6.6104    0.6909    0.3482 O   0  0  0  0  0
    6.8528    1.9598    0.9456 C   0  0  0  0  0
    8.2161    2.4237    0.5042 C   0  0  0  0  0
    8.3516    3.3261   -0.5624 C   0  0  0  0  0
    9.6190    3.7176   -1.0040 C   0  0  0  0  0
   10.7622    3.1921   -0.3998 C   0  0  0  0  0
   10.6368    2.3033    0.6772 C   0  0  0  0  0
    9.3694    1.9186    1.1201 C   0  0  0  0  0
   12.0990    3.5834   -0.9253 C   0  0  0  0  0
   12.2893    4.6989   -1.3926 O   0  0  0  0  0
   13.0580    2.5937   -0.8790 N   0  0  0  0  0
   14.3843    2.7881   -1.4328 C   0  0  0  0  0
   15.2998    1.6517   -0.9921 C   0  0  0  0  0
   16.7493    1.8502   -1.4509 C   0  0  0  0  0
   17.6074    0.7335   -1.0153 N   0  0  0  0  0
   18.9428    0.7805   -1.6673 C   0  0  0  0  0
   19.9265    1.8675   -1.1546 C   0  0  0  0  0
   20.0240    1.8601    0.3200 N   0  0  0  0  0
   18.7212    1.8365    1.0002 C   0  0  0  0  0
   17.8267    0.7015    0.4523 C   0  0  0  0  0
   21.1502    1.2713    0.9067 C   0  0  0  0  0
   21.0240    0.2636    1.8840 C   0  0  0  0  0
   22.1312   -0.3052    2.5199 C   0  0  0  0  0
   23.4091    0.1282    2.2031 C   0  0  0  0  0
   23.5794    1.1223    1.2427 C   0  0  0  0  0
   22.4705    1.6838    0.5852 C   0  0  0  0  0
   22.6112    2.7191   -0.3144 O   0  0  0  0  0
   23.8199    2.7269   -1.0651 C   0  0  0  0  0
    4.6760   -2.4233   -4.4865 H   0  0  0  0  0
    5.7629   -1.0694   -4.0986 H   0  0  0  0  0
    4.0215   -0.8221   -4.0635 H   0  0  0  0  0
    5.6076   -2.6393   -2.1740 H   0  0  0  0  0
    3.8358   -2.4225   -2.1359 H   0  0  0  0  0
    5.8790   -1.7487   -0.0370 H   0  0  0  0  0
    4.1085   -1.5257    0.1292 H   0  0  0  0  0
    5.1422    0.0574    1.6470 H   0  0  0  0  0
    4.5651    1.0042    0.2394 H   0  0  0  0  0
    6.8176    1.8703    2.0382 H   0  0  0  0  0
    6.0880    2.6828    0.6383 H   0  0  0  0  0
    7.4700    3.7157   -1.0665 H   0  0  0  0  0
    9.7113    4.4138   -1.8353 H   0  0  0  0  0
   11.5143    1.9121    1.1831 H   0  0  0  0  0
    9.2813    1.2098    1.9411 H   0  0  0  0  0
   12.7382    1.6425   -0.7451 H   0  0  0  0  0
   14.7646    3.7563   -1.0881 H   0  0  0  0  0
   14.2944    2.8267   -2.5238 H   0  0  0  0  0
   14.9152    0.7017   -1.3864 H   0  0  0  0  0
   15.2411    1.5819    0.0991 H   0  0  0  0  0
   17.1271    2.8195   -1.1081 H   0  0  0  0  0
   16.7426    1.8865   -2.5481 H   0  0  0  0  0
   18.8250    0.8797   -2.7536 H   0  0  0  0  0
   19.4127   -0.2008   -1.5157 H   0  0  0  0  0
   20.8886    1.7038   -1.6507 H   0  0  0  0  0
   19.5729    2.8562   -1.4703 H   0  0  0  0  0
   18.8225    1.7555    2.0887 H   0  0  0  0  0
   18.2322    2.8039    0.8338 H   0  0  0  0  0
   18.2877   -0.2663    0.6873 H   0  0  0  0  0
   16.8784    0.6921    0.9969 H   0  0  0  0  0
   20.0483   -0.1146    2.1701 H   0  0  0  0  0
   21.9855   -1.0782    3.2696 H   0  0  0  0  0
   24.2709   -0.2934    2.7126 H   0  0  0  0  0
   24.5877    1.4696    1.0468 H   0  0  0  0  0
   24.6475    3.1197   -0.4666 H   0  0  0  0  0
   23.6794    3.3991   -1.9170 H   0  0  0  0  0
   24.0574    1.7333   -1.4619 H   0  0  0  0  0
  1  2  1  0  0  0
  1 34  1  0  0  0
  1 35  1  0  0  0
  1 36  1  0  0  0
  2  3  1  0  0  0
  2 37  1  0  0  0
  2 38  1  0  0  0
  3  4  1  0  0  0
  4  5  1  0  0  0
  4 39  1  0  0  0
  4 40  1  0  0  0
  5  6  1  0  0  0
  5 41  1  0  0  0
  5 42  1  0  0  0
  6  7  1  0  0  0
  7  8  1  0  0  0
  7 43  1  0  0  0
  7 44  1  0  0  0
  8  9  2  0  0  0
  8 13  1  0  0  0
  9 10  1  0  0  0
  9 45  1  0  0  0
 10 11  2  0  0  0
 10 46  1  0  0  0
 11 12  1  0  0  0
 11 14  1  0  0  0
 12 13  2  0  0  0
 12 47  1  0  0  0
 13 48  1  0  0  0
 14 16  1  0  0  0
 14 15  2  0  0  0
 16 17  1  0  0  0
 16 49  1  0  0  0
 17 18  1  0  0  0
 17 50  1  0  0  0
 17 51  1  0  0  0
 18 19  1  0  0  0
 18 52  1  0  0  0
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 19 20  1  0  0  0
 19 54  1  0  0  0
 19 55  1  0  0  0
 20 25  1  0  0  0
 20 21  1  0  0  0
 21 22  1  0  0  0
 21 56  1  0  0  0
 21 57  1  0  0  0
 22 23  1  0  0  0
 22 58  1  0  0  0
 22 59  1  0  0  0
 23 24  1  0  0  0
 23 26  1  0  0  0
 24 25  1  0  0  0
 24 60  1  0  0  0
 24 61  1  0  0  0
 25 62  1  0  0  0
 25 63  1  0  0  0
 26 27  2  0  0  0
 26 31  1  0  0  0
 27 28  1  0  0  0
 27 64  1  0  0  0
 28 29  2  0  0  0
 28 65  1  0  0  0
 29 30  1  0  0  0
 29 66  1  0  0  0
 30 31  2  0  0  0
 30 67  1  0  0  0
 31 32  1  0  0  0
 32 33  1  0  0  0
 33 68  1  0  0  0
 33 69  1  0  0  0
 33 70  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL1928123

>  <PubChem CID>
57390117

>  <Formula>
C26H37N3O4

>  <Molecular Weight>
455.599000

>  <IUPAC Name>
4-(2-ethoxyethoxymethyl)-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]benzamide

>  <XlogP>
3.0

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CCOCCOCC1=CC=C(C=C1)C(=O)NCCCN2CCN(CC2)C3=CC=CC=C3OC

>  <Isomeric SMILES>
CCOCCOCC1=CC=C(C=C1)C(=O)NCCCN2CCN(CC2)C3=CC=CC=C3OC

>  <InChI Std. ID>
InChI=1S/C26H37N3O4/c1-3-32-19-20-33-21-22-9-11-23(12-10-22)26(30)27-13-6-14-28-15-17-29(18-16-28)24-7-4-5-8-25(24)31-2/h4-5,7-12H,3,6,13-21H2,1-2H3,(H,27,30)

>  <InChI Key>
HMLJHBVGLCIEGH-UHFFFAOYSA-N

