Molecule Editor

Molecule ID: FYI-1015349 Edit

Molecule Structure InChIKey: ZRPZPNYZFSJUPA-UHFFFAOYSA-N

Molecule Structure SMILES String: C=CC(=O)N4CCN(c2ncnc3c(F)c(c1c(O)cccc1F)c(Cl)cc23)CC4

Download SDF Download SVG Structure in 2D SDF:

FYI-1015349
FYIcenter.com

 30 33  0  0  0  0  0  0  0  0999 V2000
    9.6995   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746   12.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   10.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    9.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    9.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 F   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
    2.4248    2.8000    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
    0.0000    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.8000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.2000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    9.1000    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  2  0  0  0  0
  5  3  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  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  1  0  0  0  0
 15 14  1  0  0  0  0
 16 14  2  0  0  0  0
 17 16  1  0  0  0  0
 18 17  2  0  0  0  0
 19 18  1  0  0  0  0
 20 18  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 17  1  0  0  0  0
 24 23  1  0  0  0  0
 25 16  1  0  0  0  0
 26 25  1  0  0  0  0
 27 25  2  0  0  0  0
 28 27  1  0  0  0  0
 28  9  1  0  0  0  0
 28 13  2  0  0  0  0
 29  8  1  0  0  0  0
 30 29  1  0  0  0  0
 30  5  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015349-3D
FYIcenter.com

 47 50  0     0  0  0  0  0  0999 V2000
   -1.7316    2.6895    0.1945 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.3574   -2.1389   -0.1369 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9709    0.3905    2.4121 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.5757    1.5609   -1.3188 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9871    0.7295   -2.3580 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4325   -0.5935    0.0052 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7748    0.9796    0.0293 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5665   -2.7596   -0.1442 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8152   -3.1239   -0.1831 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9793   -0.0853   -1.2643 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3894   -0.7374    1.1122 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7874    1.1898   -1.0274 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1795    0.5568    1.3001 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3187   -1.4391   -0.0586 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0404   -0.8887   -0.0303 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1218    1.2048   -0.2299 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0270   -1.7989   -0.0971 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1931    0.4945    0.0595 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5619    0.0887    0.0177 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3214   -1.2855   -0.0714 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4967    0.9800    0.0833 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4699   -3.5322   -0.2019 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0791    0.9990    0.8750 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9386    0.5470    0.0386 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6052    0.8508   -1.1485 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5959    0.6812    1.2616 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3226    0.6099    0.5861 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9292    1.2887   -1.1126 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9199    1.1190    1.2974 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5866    1.4225    0.1102 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6189   -0.8576   -1.7098 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1764    0.1320   -1.9789 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0717   -1.5683    0.8940 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8622   -0.9712    2.0449 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2663    1.5045   -1.9599 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1303    2.0057   -0.7027 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5174    1.3654    1.6331 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9254    0.4027    2.0800 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6330    1.1997    0.1164 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6338   -4.6007   -0.2713 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7983    1.2024    1.8993 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0464    0.4761    1.3835 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6565    0.4067   -0.4255 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4614    1.5292   -2.0291 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4317    1.2229    2.2496 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6175    1.7632    0.1384 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6087    0.9850   -3.0609 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 21  1  0  0  0  0
  2 20  1  0  0  0  0
  3 26  1  0  0  0  0
  4 16  2  0  0  0  0
  5 25  1  0  0  0  0
  5 47  1  0  0  0  0
  6 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 14  1  0  0  0  0
  7 12  1  0  0  0  0
  7 13  1  0  0  0  0
  7 16  1  0  0  0  0
  8 14  2  0  0  0  0
  8 22  1  0  0  0  0
  9 17  1  0  0  0  0
  9 22  2  0  0  0  0
 10 12  1  0  0  0  0
 10 31  1  0  0  0  0
 10 32  1  0  0  0  0
 11 13  1  0  0  0  0
 11 33  1  0  0  0  0
 11 34  1  0  0  0  0
 12 35  1  0  0  0  0
 12 36  1  0  0  0  0
 13 37  1  0  0  0  0
 13 38  1  0  0  0  0
 14 15  1  0  0  0  0
 15 17  1  0  0  0  0
 15 18  2  0  0  0  0
 16 23  1  0  0  0  0
 17 20  2  0  0  0  0
 18 21  1  0  0  0  0
 18 39  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
 19 24  1  0  0  0  0
 22 40  1  0  0  0  0
 23 27  2  0  0  0  0
 23 41  1  0  0  0  0
 24 25  2  0  0  0  0
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 25 28  1  0  0  0  0
 26 29  2  0  0  0  0
 27 42  1  0  0  0  0
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 28 30  2  0  0  0  0
 28 44  1  0  0  0  0
 29 30  1  0  0  0  0
 29 45  1  0  0  0  0
 30 46  1  0  0  0  0
M  END
$$$$