Molecule Editor

Molecule ID: FYI-1015891 Edit

Molecule Structure InChIKey: PHIOXAZQVZNFGN-YBEGLDIGSA-N

Molecule Structure SMILES String: CCN(CC)CC(=O)NC(=O)c3c(C)[nH]c(C=c1c(=O)[nH]c2ccc(F)cc12)c3C

Download SDF Download SVG Structure in 2D SDF:

FYI-1015891
FYIcenter.com

 30 32  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 C   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
   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
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    4.8498    0.7000    0.0000 O   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
   12.2318    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
  9  5  1  0  0  0  0
 10  8  2  0  0  0  0
 11  7  2  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 14 13  1  0  0  0  0
 15 13  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 19  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
 23 20  1  0  0  0  0
 24 23  1  0  0  0  0
 25 18  2  0  0  0  0
 26 16  2  0  0  0  0
 27 15  2  0  0  0  0
 28 27  1  0  0  0  0
 29 27  1  0  0  0  0
 29 12  1  0  0  0  0
 30  6  2  0  0  0  0
 30  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015891-3D
FYIcenter.com

 55 57  0  0  0  0  0  0  0  0999 V2000
    1.0487    1.7946    1.6993 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4775    2.3272    1.6844 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6055    3.6247    1.0048 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7741    4.6924    1.6011 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0961    5.0952    3.0425 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0148    4.0741    0.9362 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9757    3.1533    0.1547 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6384    2.2000   -0.5482 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3265    3.4407    0.2648 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8723    4.6221    0.7113 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2004    5.5449    1.1613 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3328    4.7184    0.7055 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2722    4.1861   -0.1697 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1896    3.3648   -1.4080 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5145    4.6268    0.2433 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.4078    5.4576    1.3276 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5194    6.1027    1.9257 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8161    6.0837    1.5917 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5556    5.3739    0.4882 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1009    4.6377   -0.3671 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8857    5.7329    0.6530 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.0531    6.5895    1.7354 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2357    7.1392    2.1893 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1646    7.9786    3.3051 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9316    8.2409    3.9196 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8921    9.0467    4.9885 F   0  0  0  0  0  0  0  0  0  0  0  0
   13.7465    7.6808    3.4516 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8243    6.8458    2.3507 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0643    5.5238    1.6564 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4465    6.3037    2.7756 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0499    0.7371    1.9824 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5849    1.8745    0.7102 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4266    2.3299    2.4230 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0730    1.5746    1.1595 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8681    2.3644    2.7078 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.9253    2.7574   -0.1669 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1642    3.1390   -1.7039 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7236    2.4181   -1.2731 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6518    3.8995   -2.2452 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3844    4.4034   -0.2335 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2542    6.7151    2.7834 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.6191    5.3992    0.0466 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.1856    6.9330    1.7093 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.0617    8.4361    3.7113 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8127    7.9084    3.9509 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1872    6.8190    3.3915 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8811    5.6366    3.4347 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7705    7.0693    2.3819 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 31  1  0  0  0  0
  1 32  1  0  0  0  0
  1 33  1  0  0  0  0
  2  3  1  0  0  0  0
  2 34  1  0  0  0  0
  2 35  1  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  0  0  0  0
  4  5  1  0  0  0  0
  4 36  1  0  0  0  0
  4 37  1  0  0  0  0
  5 38  1  0  0  0  0
  5 39  1  0  0  0  0
  5 40  1  0  0  0  0
  6  7  1  0  0  0  0
  6 41  1  0  0  0  0
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 29 30  1  0  0  0  0
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 30 55  1  0  0  0  0
M  END
$$$$