
 CHEMBL1928120

 70 72  0  0  0  0  0  0  0  0999 V2000
   13.2123    5.5279    8.8691 C   0  0  0  0  0
   13.1256    6.9476    8.3464 C   0  0  0  0  0
   13.6801    6.9812    7.0335 O   0  0  0  0  0
   13.5205    8.2673    6.4281 C   0  0  0  0  0
   14.1672    8.2751    5.0433 C   0  0  0  0  0
   13.3686    7.5111    4.1309 O   0  0  0  0  0
   13.8006    7.4568    2.8317 C   0  0  0  0  0
   14.9156    8.1256    2.3215 C   0  0  0  0  0
   15.2431    8.0212    0.9690 C   0  0  0  0  0
   14.4670    7.2346    0.1191 C   0  0  0  0  0
   13.3661    6.5284    0.6231 C   0  0  0  0  0
   13.0281    6.6608    1.9774 C   0  0  0  0  0
   12.5271    5.6568   -0.2549 C   0  0  0  0  0
   11.3617    5.4146    0.0407 O   0  0  0  0  0
   13.1530    5.1525   -1.3770 N   0  0  0  0  0
   12.4815    4.3289   -2.3628 C   0  0  0  0  0
   12.9205    2.8667   -2.2996 C   0  0  0  0  0
   14.4118    2.6724   -2.6126 C   0  0  0  0  0
   14.7839    1.1831   -2.5754 C   0  0  0  0  0
   16.2121    0.9187   -2.8331 N   0  0  0  0  0
   17.1016    1.4449   -1.7771 C   0  0  0  0  0
   16.9137    0.8258   -0.3716 C   0  0  0  0  0
   16.9352   -0.6615   -0.3793 N   0  0  0  0  0
   16.2492   -1.2841   -1.5413 C   0  0  0  0  0
   16.4754   -0.5402   -2.8782 C   0  0  0  0  0
   16.6977   -1.2635    0.8970 C   0  0  0  0  0
   15.8409   -2.3841    1.0205 C   0  0  0  0  0
   15.5372   -2.9788    2.2503 C   0  0  0  0  0
   16.1069   -2.4920    3.4124 C   0  0  0  0  0
   16.9979   -1.4267    3.3395 C   0  0  0  0  0
   17.3031   -0.8133    2.1078 C   0  0  0  0  0
   18.2539    0.1783    2.0309 O   0  0  0  0  0
   18.5342    0.9134    3.2158 C   0  0  0  0  0
   12.8160    5.4622    9.8862 H   0  0  0  0  0
   14.2495    5.1774    8.8690 H   0  0  0  0  0
   12.6454    4.8473    8.2252 H   0  0  0  0  0
   13.6931    7.6210    8.9981 H   0  0  0  0  0
   12.0789    7.2701    8.3217 H   0  0  0  0  0
   14.0133    9.0158    7.0591 H   0  0  0  0  0
   12.4525    8.4987    6.3493 H   0  0  0  0  0
   15.1706    7.8375    5.1062 H   0  0  0  0  0
   14.2194    9.3150    4.7000 H   0  0  0  0  0
   15.5470    8.7482    2.9467 H   0  0  0  0  0
   16.1002    8.5633    0.5766 H   0  0  0  0  0
   14.7236    7.2084   -0.9353 H   0  0  0  0  0
   12.1596    6.1374    2.3737 H   0  0  0  0  0
   14.1466    5.2865   -1.4919 H   0  0  0  0  0
   12.7173    4.7528   -3.3446 H   0  0  0  0  0
   11.3977    4.3934   -2.2215 H   0  0  0  0  0
   12.3252    2.2931   -3.0203 H   0  0  0  0  0
   12.7019    2.4616   -1.3039 H   0  0  0  0  0
   14.9993    3.2272   -1.8751 H   0  0  0  0  0
   14.6448    3.0888   -3.6000 H   0  0  0  0  0
   14.1961    0.6783   -3.3533 H   0  0  0  0  0
   14.4558    0.7642   -1.6179 H   0  0  0  0  0
   17.0207    2.5351   -1.7112 H   0  0  0  0  0
   18.1398    1.2692   -2.0944 H   0  0  0  0  0
   17.7370    1.2384    0.2123 H   0  0  0  0  0
   15.9746    1.1835    0.0677 H   0  0  0  0  0
   16.6153   -2.3102   -1.6720 H   0  0  0  0  0
   15.1674   -1.3259   -1.3650 H   0  0  0  0  0
   17.5141   -0.6967   -3.1997 H   0  0  0  0  0
   15.8581   -1.0021   -3.6591 H   0  0  0  0  0
   15.3603   -2.8310    0.1568 H   0  0  0  0  0
   14.8561   -3.8248    2.2880 H   0  0  0  0  0
   15.8794   -2.9519    4.3698 H   0  0  0  0  0
   17.4646   -1.1056    4.2646 H   0  0  0  0  0
   17.6180    1.2344    3.7237 H   0  0  0  0  0
   19.0829    1.8151    2.9270 H   0  0  0  0  0
   19.1771    0.3341    3.8858 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  2  0  0  0
  7 12  1  0  0  0
  8  9  1  0  0  0
  8 43  1  0  0  0
  9 10  2  0  0  0
  9 44  1  0  0  0
 10 11  1  0  0  0
 10 45  1  0  0  0
 11 12  2  0  0  0
 11 13  1  0  0  0
 12 46  1  0  0  0
 13 15  1  0  0  0
 13 14  2  0  0  0
 15 16  1  0  0  0
 15 47  1  0  0  0
 16 17  1  0  0  0
 16 48  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
 18 53  1  0  0  0
 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>
CHEMBL1928120

>  <PubChem CID>
57390115

>  <Formula>
C26H37N3O4

>  <Molecular Weight>
455.599000

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

>  <XlogP>
3.7

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CCOCCOC1=CC=CC(=C1)C(=O)NCCCCN2CCN(CC2)C3=CC=CC=C3OC

>  <Isomeric SMILES>
CCOCCOC1=CC=CC(=C1)C(=O)NCCCCN2CCN(CC2)C3=CC=CC=C3OC

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

>  <InChI Key>
GJEUOGHJJUBVHW-UHFFFAOYSA-N

