Molecule Editor

Molecule ID: FYI-1003580 Edit

Molecule Structure InChIKey: CFNWMQGJEVENRF-UHFFFAOYSA-N

Molecule Structure SMILES String: CC3(C)Oc1c(c(=O)c(=O)c2ccccc12)C3n7cc(CNc6cc(=O)c5cc4ccccc4cc5c6=O)nn7

Download SDF Download SVG Structure in 2D SDF:

FYI-1003580
FYIcenter.com

 40 46  0  0  0  0  0  0  0  0999 V2000
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    0.0000    5.2805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.6805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    7.3805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.6805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.2805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.5805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    5.2805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    6.6805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.3805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9284    3.2111    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3207    3.0648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8902    4.3437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0207    1.8523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   18.1452    3.3604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9600    4.1056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2775    1.2161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5155    1.8699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5683    3.2689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3831    4.0141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    8.7805    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    7.3805    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5898    5.5960    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3786    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
  8 13  1  0  0  0  0
  7 11  1  0  0  0  0
 13 14  1  0  0  0  0
 12 15  1  0  0  0  0
 12 16  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 14 20  1  0  0  0  0
 14 17  1  0  0  0  0
 18 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 24 25  1  0  0  0  0
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 23 24  2  0  0  0  0
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 33 34  2  0  0  0  0
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 10 37  2  0  0  0  0
  9 38  2  0  0  0  0
 28 39  2  0  0  0  0
 25 40  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003580-3D
FYIcenter.com

 62 68  0  0  1  0  0  0  0  0999 V2000
    2.7617   -0.9907    3.3033 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3435   -1.9775    2.2040 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9569   -3.3442    2.5874 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8735   -2.0831    2.1450 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5309   -1.6265    0.8652 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5452   -1.2040    0.1317 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4429   -0.7781   -1.2628 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4137   -0.4059   -1.9023 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0533   -0.8069   -1.8682 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1194   -0.4666   -3.0300 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0693   -1.2233   -0.9953 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3610   -1.1663   -1.5309 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4442   -1.5268   -0.7418 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2317   -1.9598    0.5680 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9370   -2.0230    1.1050 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8357   -1.6385    0.3375 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8089   -1.3873    0.8567 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.6806   -2.2393    0.1071 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8500   -1.8588   -0.4460 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9614   -2.7601   -1.4760 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9193   -2.7748   -2.5728 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2626   -2.7913   -2.0975 N   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1036   -4.4827   -3.4211 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2554   -5.6173   -2.3212 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6715   -6.7857   -1.4632 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0147   -7.0405   -1.2727 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7279   -6.0990   -1.9419 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1671   -4.8398   -1.6147 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.2984   -4.2406   -1.0351 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.2294   -3.4097   -0.3821 N   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
$$$$