Molecule Editor

Molecule ID: FYI-1001688 Edit

Molecule Structure SMILES String: C1COCCC1NC(=O)C2=CC=C(C=C2)C3=NC=CC(=C3)C4=C(NN=C4)C5=CC=CC=N5

Download SDF Download SVG Structure in 2D SDF:

FYI-1001688
FYIcenter.com

 32 36  0  0  0  0  0  0  0  0999 V2000
   14.8266    7.7544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0390    8.4544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0390    9.8544    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8266   10.5544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6142    9.8544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6142    8.4544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4018    7.7544    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.1893    8.4544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1893    9.8544    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.8271    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2597    1.3314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6630    1.7640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3719    3.1335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0405    3.5661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.6294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2911    1.2599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6226    0.8273    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  8  1  0  0  0  0
 11 10  2  0  0  0  0
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 14 13  1  0  0  0  0
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 17 16  2  0  0  0  0
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 19 18  2  0  0  0  0
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 21 16  1  0  0  0  0
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 23 22  2  0  0  0  0
 24 23  1  0  0  0  0
 25 24  1  0  0  0  0
 26 25  2  0  0  0  0
 26 22  1  0  0  0  0
 27 23  1  0  0  0  0
 28 27  2  0  0  0  0
 29 28  1  0  0  0  0
 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
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001688-3D
FYIcenter.com

 55 59  0  0  0  0  0  0  0  0999 V2000
    0.6432   -0.2924   -0.4681 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7436   -0.1175    0.1332 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9332    1.2267    0.5770 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0135    1.5901    1.6059 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4155    1.5197    1.0918 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7081    0.1226    0.5491 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0453    0.0682   -0.0208 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7403   -1.1200   -0.0895 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2827   -2.1863    0.3083 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1020   -1.0627   -0.6875 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8756    0.1034   -0.6922 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1781    0.0788   -1.2098 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7440   -1.1016   -1.7255 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9422   -2.2590   -1.7121 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6416   -2.2424   -1.2012 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1309   -1.1244   -2.2424 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9877   -0.2165   -1.7107 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.2626   -0.2233   -2.1597 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7392   -1.0814   -3.1378 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8538   -1.9963   -3.7003 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5443   -2.0262   -3.2165 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2845   -2.9242   -4.7379 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5270   -3.3906   -5.8116 C   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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M  END
$$$$