Molecule Editor

Molecule ID: FYI-1003967 Edit

Molecule Structure InChIKey: PRBZQYGBPDJGLE-UHFFFAOYSA-N

Molecule Structure SMILES String: CCOCCOc3ccc(c2nc(=O)c(CCC(=O)NC1CCCCC1)n[nH]2)cc3

Download SDF Download SVG Structure in 2D SDF:

FYI-1003967
FYIcenter.com

 30 32  0  0  0  0  0  0  0  0999 V2000
   18.1866    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1866    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    8.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    9.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    7.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   11.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   10.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   10.5000    0.0000 C   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  2  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  1  0  0  0  0
 12 11  2  0  0  0  0
 13 12  1  0  0  0  0
 14  8  2  0  0  0  0
 15 13  1  0  0  0  0
 16 15  2  0  0  0  0
 17 16  1  0  0  0  0
 17 11  1  0  0  0  0
 18 17  2  0  0  0  0
 19 15  1  0  0  0  0
 20 19  2  0  0  0  0
 21 20  1  0  0  0  0
 22 21  2  0  0  0  0
 23 22  1  0  0  0  0
 24 23  2  0  0  0  0
 24 19  1  0  0  0  0
 25 22  1  0  0  0  0
 26 25  1  0  0  0  0
 27 26  1  0  0  0  0
 28 27  1  0  0  0  0
 29 28  1  0  0  0  0
 30 29  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003967-3D
FYIcenter.com

 60 62  0     0  0  0  0  0  0999 V2000
   -5.3624    0.2349   -1.6484 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8928   -2.2296    2.2038 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1570   -0.9817   -0.5526 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7406    1.1820    0.1960 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3747    1.2743    0.1791 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5476   -1.8350   -1.2639 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2043   -1.6676   -1.2397 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9143   -1.8819    1.0969 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0290    2.5173   -0.4742 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6531    2.4246   -1.1422 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0917    3.6917    0.5082 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5103    2.4040   -0.1271 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9464    3.6691    1.5205 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5875    3.5880    0.8318 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0175    0.2307   -0.4700 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2565   -0.9434    0.4669 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5834   -2.2299    0.0069 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1019   -2.0276   -0.1098 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2771   -2.0525    1.1589 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4251   -1.6987   -0.0974 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0534   -1.5101   -0.2188 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9115   -2.1157    0.6992 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5745   -0.7271   -1.2489 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8113   -1.1549   -0.4427 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2904   -1.9382    0.5873 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9534   -0.5494   -1.3608 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9167   -1.0184    0.6547 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1481   -0.1485    0.4912 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8572    2.0489    0.0537 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3612    3.4446   -0.2585 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.7692    3.4464   -1.1797 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  2  0  0  0  0
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  3 27  1  0  0  0  0
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  9 31  1  0  0  0  0
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 27 28  1  0  0  0  0
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 30 60  1  0  0  0  0
M  END
$$$$