Molecule Editor

Molecule ID: FYI-1004976 Edit

Molecule Structure InChIKey: MOUUMCSICNZZFA-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C(NN1C(=O)C(CO)NC1c2ccccc2)c3ccncc3

Download SDF Download SVG Structure in 2D SDF:

FYI-1004976
FYIcenter.com

 23 25  0  0  0  0  0  0  0  0999 V2000
    6.6566    2.7388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6434    5.3353    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6434    6.7353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4310    7.4353    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8560    7.4353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0684    6.7353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2808    7.4353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2808    8.8353    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0684    9.5353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8560    8.8353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4310    4.6353    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1521    5.2047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8609    6.5741    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2152    4.1643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8229    4.3106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.1780    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9152    2.9519    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2847    3.2430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3251    2.3061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0340    0.9367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0743    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4059    0.4326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6969    1.8019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 19  2  0  0  0  0
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  5  3  1  0  0  0  0
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  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 10  5  1  0  0  0  0
 11  2  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
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 15 14  1  0  0  0  0
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 17 14  1  0  0  0  0
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 18 11  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  2  0  0  0  0
 22 21  1  0  0  0  0
 23 22  2  0  0  0  0
  1 23  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004976-3D
FYIcenter.com

 39 41  0  0  1  0  0  0  0  0999 V2000
    4.6395   -0.2927    2.8691 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2368   -0.3065    1.7095 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9330    0.0115    1.3632 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0662    0.5612    2.3276 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4186    1.5999    3.1672 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3661    2.3689    3.0707 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3517    1.6481    4.2435 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.9667    1.5143    5.6395 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8128    2.6200    5.9538 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3952    0.5514    3.9298 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9826   -0.2284    2.8293 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.0414   -0.5546    1.7541 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3461    0.3569    0.7240 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2178    0.0049   -0.3067 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8234   -1.2485   -0.3059 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5823   -2.1375    0.7402 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.4237   -1.2677   -0.0007 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.1131    1.3442    0.7038 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4199    0.7064   -1.1129 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4910   -1.5301   -1.1165 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0752   -3.1067    0.7511 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5284   -2.4990    2.5769 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -0.6510    1.9736 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4778   -1.3943    0.2343 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5368   -1.6020   -2.6360 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7802   -0.8732   -1.0623 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
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  7 10  1  0  0  0  0
  7 25  1  0  0  0  0
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  8 26  1  0  0  0  0
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 20 21  1  0  0  0  0
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 21 22  2  0  0  0  0
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 23 39  1  0  0  0  0
M  END
$$$$