Molecule Editor

Molecule ID: FYI-1013272 Edit

Molecule Structure InChIKey: VFLKLVNMCBOPIW-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc3cc(C)c(N2C=CN(c1cccc([F+]C(F)F)n1)C2)c(C)c3

Download SDF Download SVG Structure in 2D SDF:

FYI-1013272
FYIcenter.com

 24 26  0  0  0  0  0  0  0  0999 V2000
    0.8582   10.8849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6810    9.7523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1116    8.4733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9345    7.3407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3652    6.0618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3268    7.4871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1498    6.3544    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7172    5.0230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9824    5.0230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5498    6.3544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4250    0.0000    0.0000 F   0  3  0  0  0  0  0  0  0  0  0  0
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    1.2124    2.1000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8964    8.7660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2887    8.9123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0734    9.8986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
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  5  4  1  0  0  0  0
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  7  6  1  0  0  0  0
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  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
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 13 12  2  0  0  0  0
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 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 16  1  0  0  0  0
 19 14  2  0  0  0  0
 20 19  1  0  0  0  0
 21 20  2  0  0  0  0
 21 12  1  0  0  0  0
 22  6  1  0  0  0  0
 23 22  1  0  0  0  0
 24 22  2  0  0  0  0
 24  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1013272-3D
FYIcenter.com

 43 45  0  0  0  0  0  0  0  0999 V2000
    2.1510    1.7800    0.0613 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0162    0.7982    0.0164 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2228    1.1664   -0.4988 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2915    0.2578   -0.5526 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6037    0.8009   -1.0720 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1175   -1.0844   -0.0697 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2281   -2.0058   -0.0308 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2709   -2.0843   -0.9861 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3701   -2.6691   -0.4253 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0762   -2.9896    0.9104 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9922   -3.5719    1.8315 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5716   -3.9842    3.1081 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4859   -4.5895    3.9710 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8020   -4.7888    3.5574 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1981   -4.3345    2.2981 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4395   -4.5508    1.8727 F   0  3  0  0  0  0  0  0  0  0  0  0
   -9.6809   -4.7671    1.4472 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8103   -4.1796    0.2035 F   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9678   -6.1163    1.3693 F   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2960   -3.7415    1.4726 N   0  0  0  0  0  0  0  0  0  0  0  0
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  6 22  2  0  0  0  0
  7  8  1  0  0  0  0
  7 21  1  0  0  0  0
  8  9  2  0  0  0  0
  8 32  1  0  0  0  0
  9 10  1  0  0  0  0
  9 33  1  0  0  0  0
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 17 37  1  0  0  0  0
 21 38  1  0  0  0  0
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 24 43  1  0  0  0  0
M  END
$$$$