Molecule Editor

Molecule ID: FYI-1010471 Edit

Molecule Structure InChIKey: UHBBBQHKVVATAJ-UHFFFAOYSA-N

Molecule Structure SMILES String: C#CCn6c(c1ccc(Cl)c(Cl)c1)c(n3nnc2cc(F)c(F)cc23)c(=O)n(c4cncc5ccccc45)c6=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1010471
FYIcenter.com

 40 45  0  0  0  0  0  0  0  0999 V2000
   12.6618    6.9999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4494    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2369    6.9999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0245    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8121    6.9999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8121    8.3999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0245    9.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0245   10.4999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8121   11.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8121   12.5999    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.5996   10.4999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3872   11.1999    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.5996    9.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5996    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3872    6.9999    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2409    8.3922    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8714    8.6833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    5.5573    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.3062    4.8080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8736    3.4765    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.6757    5.0990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1083    6.4306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5996    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3872    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8121    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8121    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5996    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5996    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8121    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0245    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2369    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4494    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4494    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2369    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0245    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0245    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2369    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  3  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  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 11  9  1  0  0  0  0
 12 11  1  0  0  0  0
 13 11  2  0  0  0  0
 13  6  1  0  0  0  0
 14  5  2  0  0  0  0
 15 14  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  1  0  0  0  0
 22 20  2  0  0  0  0
 23 22  1  0  0  0  0
 24 22  1  0  0  0  0
 25 24  2  0  0  0  0
 25 18  1  0  0  0  0
 25 15  1  0  0  0  0
 26 14  1  0  0  0  0
 27 26  2  0  0  0  0
 28 26  1  0  0  0  0
 29 28  1  0  0  0  0
 30 29  2  0  0  0  0
 31 30  1  0  0  0  0
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 33 32  1  0  0  0  0
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 37 36  2  0  0  0  0
 38 37  1  0  0  0  0
 38 29  1  0  0  0  0
 38 33  2  0  0  0  0
 39 28  1  0  0  0  0
 39  4  1  0  0  0  0
 40 39  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1010471-3D
FYIcenter.com

 54 59  0  0  0  0  0  0  0  0999 V2000
    2.8954    2.5377   -0.8692 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3307    1.4666   -0.5131 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9549    0.2401   -0.0241 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3877   -0.7541   -1.0291 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0860   -2.1348   -0.8588 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8021   -2.7670    0.5272 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2812   -4.0728    0.6966 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7375   -4.5463    1.9014 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8217   -3.7801    3.0504 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0722   -4.3735    4.4852 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.5362   -2.5924    2.9919 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8127   -1.6213    4.3948 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.0537   -2.1264    1.7558 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9467   -2.8235   -2.0092 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0963   -3.9290   -2.2239 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3611   -5.0607   -2.9498 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2463   -5.4511   -3.5450 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2213   -4.7084   -3.0483 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1332   -4.6690   -3.3917 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9795   -3.8605   -2.6314 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2758   -3.7888   -2.9588 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5037   -3.1257   -1.5518 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3495   -2.4104   -0.7976 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.8536   -3.0816   -1.2504 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.4634   -2.2552   -3.3009 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.2176   -1.0996   -3.2628 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8347   -0.5740   -4.5127 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3583   -0.9608   -5.7850 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7556   -0.4660   -6.9827 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7786    0.3937   -6.9635 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4767    0.7243   -5.8158 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6828    1.4298   -5.9547 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4522    1.7361   -4.8431 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.5128   -5.2380   -4.2313 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  3  0  0  0  0
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  3 42  1  0  0  0  0
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  4 39  1  0  0  0  0
  5  6  1  0  0  0  0
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  6  7  1  0  0  0  0
  6 13  2  0  0  0  0
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  9 10  1  0  0  0  0
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 22 23  1  0  0  0  0
 22 24  2  0  0  0  0
 24 25  1  0  0  0  0
 24 48  1  0  0  0  0
 26 27  2  0  0  0  0
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 29 30  1  0  0  0  0
 29 38  2  0  0  0  0
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 39 40  2  0  0  0  0
M  END
$$$$