Molecule Editor

Molecule ID: FYI-1016580 Edit

Molecule Structure InChIKey: ATALOFNDEOCMKK-OITMNORJSA-N

Molecule Structure SMILES String: C[C@@H](O[C@H]2OCCN(Cc1n[nH]c(=O)[nH]1)[C@H]2c3ccc(F)cc3)c4cc(C(F)(F)F)cc(C(F)(F)F)c4

Download SDF Download SVG Structure in 2D SDF:

FYI-1016580
FYIcenter.com

 37 40  0  0  1  0  0  0  0  0999 V2000
    6.0329    8.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2453    7.9834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2453    6.5834    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0329    5.8834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8205    6.5834    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6079    5.8834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6079    4.4834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8205    3.7834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6079    1.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3076    7.2834    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   11.3951    6.7710    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.8826   10.0834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6702   10.7834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6702   12.1834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2702   12.1834    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.6702   13.5834    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   11.0703   12.1834    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.4578   10.0834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  2  3  1  6  0  0  0
  4  3  1  6  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  7  1  0  0  0  0
  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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 15 10  1  0  0  0  0
 16  8  1  0  0  0  0
 16  4  1  0  0  0  0
 16 17  1  6  0  0  0
 18 17  2  0  0  0  0
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 24  2  1  0  0  0  0
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M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016580-3D
FYIcenter.com

 58 61  0     1  0  0  0  0  0999 V2000
    1.5115   -3.7894    1.5532 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.3507   -2.6331   -2.4449 F   0  0  0  0  0  0  0  0  0  0  0  0
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    5.0042    0.8755    2.4172 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.2041    1.5758    0.7444 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5360    3.1742    0.0742 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4030    1.4876   -1.1300 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3371   -0.6166    0.0097 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9240    0.6741    0.3204 N   0  0  2  0  0  0  0  0  0  0  0  0
   -5.0871   -0.6454   -0.9768 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2169   -0.3618    0.9449 N   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.5915    0.8884    0.9434 C   0  0  2  0  0  0  0  0  0  0  0  0
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M  END
$$$$