Molecule Editor

Molecule ID: FYI-1013532 Edit

Molecule Structure InChIKey: LRJIGYRPIBILRT-UHFFFAOYSA-N

Molecule Structure SMILES String: O=c4c1ccccc1n(Cc3ccc(c2noc(C(F)(F)F)n2)cc3)c(=O)n4c5ccccc5

Download SDF Download SVG Structure in 2D SDF:

FYI-1013532
FYIcenter.com

 34 38  0  0  0  0  0  0  0  0999 V2000
   13.0636    4.2413    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8512    4.9413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8512    6.3413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0636    7.0413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0636    8.4413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8512    9.1413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6388    8.4413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6388    7.0413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4264    6.3413    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2138    7.0413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.5579    0.7095    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.7095    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.8484    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.2178    2.8490    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7890    4.2413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0014    4.9413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6388    4.2413    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6388    2.8413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4264    2.1413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4264    0.7413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6388    0.0413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8512    0.7413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8512    2.1413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4264    4.9413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2138    4.2413    0.0000 O   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  4  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  8  3  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
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 26  2  1  0  0  0  0
 27 26  1  0  0  0  0
 28 27  2  0  0  0  0
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 30 29  2  0  0  0  0
 31 30  1  0  0  0  0
 32 31  2  0  0  0  0
 32 27  1  0  0  0  0
 33 26  1  0  0  0  0
 33  9  1  0  0  0  0
 34 33  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1013532-3D
FYIcenter.com

 49 53  0  0  0  0  0  0  0  0999 V2000
    1.0095   -0.1342    0.2085 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2196   -0.0193    0.0440 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0257   -1.2465    0.0575 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3626   -2.4878    0.0618 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0921   -3.6707    0.0722 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4777   -3.6109    0.1075 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1305   -2.3725    0.1123 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4149   -1.1653    0.0715 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0458    0.1082   -0.0030 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5130    0.2373    0.0590 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0152    0.3980    1.4864 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3949   -0.7060    2.2624 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6873   -0.5612    3.6240 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6203    0.6957    4.2363 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7436    0.8440    5.6822 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8910   -0.1804    6.5386 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8190    0.4178    7.7944 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6414    1.7542    7.5849 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5048    2.5993    8.7980 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5663    1.8825    9.9530 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.4826    3.5419    8.8799 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.3197    3.2674    8.8276 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.6042    2.0677    6.3030 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3467    1.8144    3.4378 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0410    1.6675    2.0808 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3091    1.2887   -0.1774 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8878    2.3536   -0.4176 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4557    3.4854    0.6530 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.1370    5.5623   -0.0934 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6993    3.6653   -1.5917 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7020    1.6453   -1.6144 H   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$