Molecule Editor

Molecule ID: FYI-1003337 Edit

Molecule Structure InChIKey: GUXJRQNFMUDSRU-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(C)C(C(=O)NC(=O)C(F)(F)F)n3cc(c2ccc1cc(OC(F)(F)F)ccc1c2)nn3

Download SDF Download SVG Structure in 2D SDF:

FYI-1003337
FYIcenter.com

 33 35  0  0  0  0  0  0  0  0999 V2000
    6.0621   13.8424    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621   12.4424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497   11.7424    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   12.4424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   11.7424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   12.4424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   13.8424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   11.7424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   10.3424    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2922    9.5195    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7249    8.1881    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1249    8.1881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.3783    5.7765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2012    4.6439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6317    3.3649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4546    2.2323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.0623    1.3924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9158    2.7847    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.4546    1.5387    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.2086    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.4164    3.6576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5935    4.7902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1629    6.0692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3401    7.2018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5575    9.5195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   13.8424    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746   11.7424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5746   10.5300    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870   11.0424    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.9746   12.9548    0.0000 F   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  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  6  1  0  0  0  0
  9  5  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  1  0  0  0  0
 14 13  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
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 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
 22 20  1  0  0  0  0
 23 20  1  0  0  0  0
 24 18  2  0  0  0  0
 25 15  2  0  0  0  0
 25 24  1  0  0  0  0
 26 25  1  0  0  0  0
 27 26  2  0  0  0  0
 27 13  1  0  0  0  0
 28 12  2  0  0  0  0
 28  9  1  0  0  0  0
 29  4  2  0  0  0  0
 30  2  1  0  0  0  0
 31 30  1  0  0  0  0
 32 30  1  0  0  0  0
 33 30  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003337-3D
FYIcenter.com

 49 51  0  0  1  0  0  0  0  0999 V2000
    0.7133   -0.2983    1.5822 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2340   -0.1222    1.7001 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6231   -0.1713    3.1822 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9854   -1.1806    0.8339 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.6461   -0.9941   -0.6512 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5580    0.1389   -1.1218 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4937   -2.1524   -1.3869 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0611   -2.1789   -2.7207 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6383   -1.1951   -3.3294 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0930   -3.5751   -3.3570 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5800   -4.5080   -2.4851 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.8558   -4.0089   -3.7200 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.8761   -3.6370   -4.4655 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.4360   -1.1431    0.9531 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2620   -0.0640    1.0609 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5321   -0.5941    0.9911 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7707    0.1672    1.0026 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7834    1.5070    0.5866 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9668    2.2513    0.5895 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1700    1.6751    1.0017 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3591    2.4228    1.0176 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5706    1.8588    1.4361 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6433    2.6934    1.3851 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6754    2.5732    2.3570 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4694    1.6083    3.2757 F   0  0  0  0  0  0  0  0  0  0  0  0
   15.8443    2.3268    1.7264 F   0  0  0  0  0  0  0  0  0  0  0  0
   14.7888    3.7492    3.0104 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.6028    0.5095    1.7819 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4194   -0.2450    1.7837 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.9320    3.2850    0.2575 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3504    3.4660    0.7055 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.5302    0.0086    2.0428 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4701   -1.2945    2.0765 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9940   -1.4608    1.7127 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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M  END
$$$$