Molecule Editor

Molecule ID: FYI-1015463 Edit

Molecule Structure InChIKey: YEZUKZLOLDUYKY-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCCCCNC2CN=C(C(=O)Nc1ccc(CC)cc1)C=N2

Download SDF Download SVG Structure in 2D SDF:

FYI-1015463
FYIcenter.com

 25 26  0  0  0  0  0  0  0  0999 V2000
   12.1244    5.6000    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
   14.5492    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3989    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9118    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  1  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 14 13  1  0  0  0  0
 14  9  1  0  0  0  0
 15 12  1  0  0  0  0
 16 15  2  0  0  0  0
 17 15  1  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
 22 21  1  0  0  0  0
 23 22  2  0  0  0  0
 23 18  1  0  0  0  0
 24 21  1  0  0  0  0
 25 24  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015463-3D
FYIcenter.com

 55 56  0  0  1  0  0  0  0  0999 V2000
    3.4702    3.4370   -2.6749 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2668    2.4251   -1.8705 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8799    1.3702   -2.7846 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6792    0.3471   -1.9865 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2797   -0.7018   -2.9158 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0682   -1.7310   -2.1183 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6658   -2.7816   -3.0450 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4094   -3.7314   -2.2348 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.0974   -4.7488   -3.0197 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.1390   -4.1821   -4.0353 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1093   -3.2759   -3.3599 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.4138   -3.7279   -2.1709 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2902   -2.9077   -1.2567 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5862   -3.4415   -0.1927 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6229   -1.6410   -1.7013 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.4132   -0.7261   -0.9677 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2044   -1.1362    0.1119 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9203   -0.2164    0.8748 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8697    1.1428    0.5783 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6010    2.1278    1.4539 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0309    2.3754    0.9986 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1206    1.5577   -0.5339 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4044    0.6276   -1.3059 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9107   -5.0696   -1.6730 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8069   -5.6147   -2.0711 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0338    4.1901   -2.0128 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6570    2.9473   -3.2204 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1106    3.9482   -3.4009 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6102    1.9462   -1.1346 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0570    2.9422   -1.3138 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5342    1.8531   -3.5205 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0866    0.8590   -3.3436 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0300   -0.1414   -1.2500 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4797    0.8502   -1.4303 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9355   -0.2158   -3.6487 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4814   -1.2024   -3.4773 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4137   -2.2080   -1.3778 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8718   -1.2269   -1.5655 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.6858   -4.9984   -4.5232 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1698   -1.3367   -2.5545 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.2931   -2.1783    0.3927 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.5037   -0.5826    1.7197 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.6134    1.7493    2.4854 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.0502    3.0717    1.4868 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.6181    1.4508    0.9884 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.5223    3.0779    1.6806 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.0579    2.8049   -0.0079 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.0720    2.6139   -0.7902 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8082    0.9917   -2.1406 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5603   -5.5727   -0.9396 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 26  1  0  0  0  0
  1 27  1  0  0  0  0
  1 28  1  0  0  0  0
  2  3  1  0  0  0  0
  2 29  1  0  0  0  0
  2 30  1  0  0  0  0
  3  4  1  0  0  0  0
  3 31  1  0  0  0  0
  3 32  1  0  0  0  0
  4  5  1  0  0  0  0
  4 33  1  0  0  0  0
  4 34  1  0  0  0  0
  5  6  1  0  0  0  0
  5 35  1  0  0  0  0
  5 36  1  0  0  0  0
  6  7  1  0  0  0  0
  6 37  1  0  0  0  0
  6 38  1  0  0  0  0
  7  8  1  0  0  0  0
  7 39  1  0  0  0  0
  7 40  1  0  0  0  0
  8  9  1  0  0  0  0
  8 41  1  0  0  0  0
  9 10  1  0  0  0  0
  9 25  1  0  0  0  0
  9 42  1  0  0  0  0
 10 11  1  0  0  0  0
 10 43  1  0  0  0  0
 10 44  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 24  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 45  1  0  0  0  0
 16 17  1  0  0  0  0
 16 23  2  0  0  0  0
 17 18  2  0  0  0  0
 17 46  1  0  0  0  0
 18 19  1  0  0  0  0
 18 47  1  0  0  0  0
 19 20  1  0  0  0  0
 19 22  2  0  0  0  0
 20 21  1  0  0  0  0
 20 48  1  0  0  0  0
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 21 50  1  0  0  0  0
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 22 23  1  0  0  0  0
 22 53  1  0  0  0  0
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 24 25  2  0  0  0  0
 24 55  1  0  0  0  0
M  END
$$$$