Molecule Editor

Molecule ID: FYI-1004263 Edit

Molecule Structure InChIKey: KPKHFEVMSHAUHB-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc1ccccc1N(CC(=O)NC2CCCCC2)C(=O)Cc3ccc(C(=O)NO)cc3

Download SDF Download SVG Structure in 2D SDF:

FYI-1004263
FYIcenter.com

 31 33  0  0  0  0  0  0  0  0999 V2000
    8.4871    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5494    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7618    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.9742    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5494    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  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
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11  8  2  0  0  0  0
 12  7  1  0  0  0  0
 13 12  2  0  0  0  0
 13  4  1  0  0  0  0
 14  2  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
 23 18  1  0  0  0  0
 24 16  2  0  0  0  0
 25 14  1  0  0  0  0
 26 25  2  0  0  0  0
 27 26  1  0  0  0  0
 28 27  2  0  0  0  0
 29 28  1  0  0  0  0
 30 29  2  0  0  0  0
 30 25  1  0  0  0  0
 31 30  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004263-3D
FYIcenter.com

 60 62  0  0  0  0  0  0  0  0999 V2000
    1.4181   -0.0453   -2.0134 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5461    0.0271   -0.7910 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1613    1.2404   -0.5814 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9827    1.4208    0.5258 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0837    0.4162    1.4755 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3990   -0.7889    1.2787 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3918   -1.0278    0.1337 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9585   -2.3495   -0.0536 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0146   -3.4812    0.1322 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6444   -4.1443   -1.0929 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1245   -5.2748   -0.9784 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8013   -3.4152   -2.2485 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5300   -3.9582   -3.4012 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0149   -3.3568   -4.7139 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7852   -3.8757   -5.9285 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2847   -3.6378   -5.7831 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8149   -4.2659   -4.5001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0540   -3.7699   -3.2655 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3604   -2.5019    0.0041 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1364   -1.5399   -0.0210 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9835   -3.8957    0.1992 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1738   -4.7776   -1.0183 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6454   -4.4611   -2.2708 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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 31 60  1  0  0  0  0
M  END
$$$$