Molecule Editor

Molecule ID: FYI-1007901 Edit

Molecule Structure InChIKey: ZPUHHSPGLWDOOR-UHFFFAOYSA-N

Molecule Structure SMILES String: Clc4cccc(Nc3nccc(Nc2ccc(CN1CCOCC1)cc2Cl)n3)c4

Download SDF Download SVG Structure in 2D SDF:

FYI-1007901
FYIcenter.com

 29 32  0  0  0  0  0  0  0  0999 V2000
    6.0623    2.8000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    7.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  7  2  1  0  0  0  0
  8  6  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 14  9  1  0  0  0  0
 15 13  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 20 19  1  0  0  0  0
 21 20  2  0  0  0  0
 21 16  1  0  0  0  0
 22 21  1  0  0  0  0
 23 19  1  0  0  0  0
 24 23  1  0  0  0  0
 25 24  1  0  0  0  0
 26 25  1  0  0  0  0
 27 26  1  0  0  0  0
 28 27  1  0  0  0  0
 29 28  1  0  0  0  0
 29 24  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007901-3D
FYIcenter.com

 50 53  0  0  0  0  0  0  0  0999 V2000
    7.5641  -11.6015    2.8896 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.7048  -10.2150    2.3385 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5832  -10.3786    1.5281 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8845   -9.2581    1.0875 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2981   -7.9851    1.4805 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4024   -7.8131    2.3253 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8351   -6.5398    2.7373 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0221   -5.4209    2.9444 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7522   -5.5757    3.3454 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0217   -4.4640    3.5119 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5062   -3.2033    3.2857 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8297   -3.1247    2.9089 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4046   -1.8436    2.7146 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8067   -1.6269    2.6643 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6422   -2.2265    3.6187 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0324   -2.1210    3.5352 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6273   -1.4007    2.4949 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1308   -1.3106    2.3709 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8298   -2.3012    1.5545 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.3978   -2.4680    0.1635 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3690   -3.5911   -0.0653 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7866   -4.8309    0.5205 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0454   -4.6744    1.9201 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1096   -3.5987    2.1759 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7934   -0.7135    1.5963 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4003   -0.8152    1.6886 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4295    0.0598    0.5565 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.5856   -4.2276    2.7362 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1289   -8.9412    2.7188 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2487  -11.3707    1.2396 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0125   -9.3697    0.4491 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7364   -7.1221    1.1288 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6763   -6.2219    2.2721 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0048   -4.6302    3.8549 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8942   -2.3258    3.4411 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9318   -1.3710    1.9464 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2039   -2.8049    4.4301 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6403   -2.6177    4.2880 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5645   -1.2969    3.3802 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3743   -0.3167    1.9729 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.2978   -2.7347   -0.4071 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0459   -1.5254   -0.2696 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2674   -3.7683   -1.1415 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3779   -3.3285    0.3163 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4128   -5.6383    2.2887 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1093   -4.4621    2.4436 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.0469   -3.9573    1.7278 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.3131   -3.5003    3.2478 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2339   -0.0984    0.8152 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9989   -8.8290    3.3602 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2 29  2  0  0  0  0
  3  4  2  0  0  0  0
  3 30  1  0  0  0  0
  4  5  1  0  0  0  0
  4 31  1  0  0  0  0
  5  6  2  0  0  0  0
  5 32  1  0  0  0  0
  6  7  1  0  0  0  0
  6 29  1  0  0  0  0
  7  8  1  0  0  0  0
  7 33  1  0  0  0  0
  8  9  1  0  0  0  0
  8 28  2  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 34  1  0  0  0  0
 11 12  2  0  0  0  0
 11 35  1  0  0  0  0
 12 13  1  0  0  0  0
 12 28  1  0  0  0  0
 13 14  1  0  0  0  0
 13 36  1  0  0  0  0
 14 15  1  0  0  0  0
 14 26  2  0  0  0  0
 15 16  2  0  0  0  0
 15 37  1  0  0  0  0
 16 17  1  0  0  0  0
 16 38  1  0  0  0  0
 17 18  1  0  0  0  0
 17 25  2  0  0  0  0
 18 19  1  0  0  0  0
 18 39  1  0  0  0  0
 18 40  1  0  0  0  0
 19 20  1  0  0  0  0
 19 24  1  0  0  0  0
 20 21  1  0  0  0  0
 20 41  1  0  0  0  0
 20 42  1  0  0  0  0
 21 22  1  0  0  0  0
 21 43  1  0  0  0  0
 21 44  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 45  1  0  0  0  0
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 24 47  1  0  0  0  0
 24 48  1  0  0  0  0
 25 26  1  0  0  0  0
 25 49  1  0  0  0  0
 26 27  1  0  0  0  0
 29 50  1  0  0  0  0
M  END
$$$$