Molecule Editor

Molecule ID: FYI-1015889 Edit

Molecule Structure InChIKey: IOXWMZKCUPYYPA-UHFFFAOYSA-N

Molecule Structure SMILES String: CCN(CC)CCNC(=O)c3c(C)[nH]c(Cn2c(=O)[nH]c1ccc(F)cc12)c3C

Download SDF Download SVG Structure in 2D SDF:

FYI-1015889
FYIcenter.com

 29 31  0  0  0  0  0  0  0  0999 V2000
   12.7360   10.8245    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   13.1686    9.4930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5381    9.2019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9707    7.8704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0339    6.8300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6645    7.1211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9645    5.9087    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.5722    5.7624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0028    4.4834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6334    4.1923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5929    5.1291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7660    2.2306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0571    0.8612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7028    3.2709    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.9013    4.8682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1803    5.4377    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.6102    3.4989    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2318    8.4526    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
  4  3  1  0  0  0  0
  5  4  2  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 10  1  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 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 17  1  0  0  0  0
 21 20  1  0  0  0  0
 22 13  2  0  0  0  0
 23 12  2  0  0  0  0
 24 23  1  0  0  0  0
 25 23  1  0  0  0  0
 25  9  1  0  0  0  0
 26  7  1  0  0  0  0
 27 26  1  0  0  0  0
 27  5  1  0  0  0  0
 28 26  2  0  0  0  0
 29  6  2  0  0  0  0
 29  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015889-3D
FYIcenter.com

 57 59  0  0  0  0  0  0  0  0999 V2000
    4.6368   -1.9715    1.5969 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2839   -0.4889    1.5851 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7066    0.2475    0.3794 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2021   -0.3422   -0.8782 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6885   -0.3232   -1.0931 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3537    1.6856    0.4737 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9492    2.4416    1.6783 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3959    2.4439    1.7171 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0532    3.0957    2.7406 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4426    3.6855    3.6300 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5212    3.0147    2.7279 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3667    2.9308    1.6240 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1270    2.9320    0.1559 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6601    2.8835    2.0936 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6894    3.0536    3.4556 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9881    3.1605    4.1899 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4114    1.8664    4.6482 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.8379    0.8279    3.8045 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8909    0.8216    2.5827 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2556   -0.2238    4.6365 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.1407    0.1793    5.9600 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4902   -0.5072    7.1036 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3148    0.1650    8.3152 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8052    1.4766    8.3352 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6606    2.0941    9.5154 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.4539    2.1560    7.1683 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6287    1.4775    5.9795 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3770    3.0986    3.8932 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9173    3.2166    5.3055 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5169   -2.3661    2.6115 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  1 31  1  0  0  0  0
  1 32  1  0  0  0  0
  2  3  1  0  0  0  0
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M  END
$$$$