Molecule Editor

Molecule ID: FYI-1007794 Edit

Molecule Structure InChIKey: MWENSAVFGABRLR-UHFFFAOYSA-N

Molecule Structure SMILES String: O=[N+](O)c4ccc(N1CCOCC1)c(Nc3ccnc(Nc2ccc(Br)cc2)n3)c4

Download SDF Download SVG Structure in 2D SDF:

FYI-1007794
FYIcenter.com

 30 33  0  0  0  0  0  0  0  0999 V2000
    4.8497   14.6999    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.8497   13.2999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   12.5999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   11.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497   10.4999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   11.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   12.5999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    9.0999    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.3999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    9.0999    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    8.3999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    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
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 O   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
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.9000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    7.2746    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.2000    0.0000 O   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  2  0  0  0  0
  7  2  1  0  0  0  0
  8  5  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  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 13  2  0  0  0  0
 14  9  1  0  0  0  0
 15 13  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 20 19  1  0  0  0  0
 21 20  2  0  0  0  0
 21 16  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
 25 24  1  0  0  0  0
 26 25  1  0  0  0  0
 27 26  1  0  0  0  0
 27 22  1  0  0  0  0
 28 18  1  0  0  0  0
 29 28  2  0  0  0  0
 30 28  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007794-3D
FYIcenter.com

 50 53  0  0  0  0  0  0  0  0999 V2000
    1.3442    0.6671    0.2116 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3688    0.0283    0.0931 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.8592   -0.6196    1.2039 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0660   -0.0205   -1.1691 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5686    0.6641   -2.2718 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2599    0.6142   -3.4890 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4653   -0.1003   -3.6519 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1008   -0.1220   -4.8875 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9837    0.9508   -5.8924 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4671    0.4012   -7.2306 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2856   -0.6813   -7.7003 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2528   -1.7572   -6.7500 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7918   -1.3335   -5.3717 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9589   -0.7913   -2.5019 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2841   -1.3466   -2.4879 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6586   -2.5011   -1.7582 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9721   -2.6557   -1.3654 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2947   -3.8564   -0.7781 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4256   -4.8705   -0.6337 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1685   -4.6445   -1.0381 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2878   -5.7193   -0.9717 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8945   -5.7180   -0.8443 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1508   -6.7552   -1.4230 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7531   -6.7563   -1.3634 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0893   -5.7253   -0.7031 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7985   -5.7240   -0.6165 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.8086   -4.6906   -0.1136 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2032   -4.6826   -0.2007 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7625   -3.4822   -1.5719 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2536   -0.7341   -1.2784 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1620   -0.3477    1.8240 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.6714   -2.1949   -4.7100 H   0  0  0  0  0  0  0  0  0  0  0  0
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    8.7154   -1.8833   -1.4982 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2974   -4.0497   -0.4086 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7682   -6.5781   -0.7607 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6566   -7.5522   -1.9623 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1968   -7.5557   -1.8445 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3020   -3.8832    0.4072 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7511   -3.8642    0.2602 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6576   -1.2412   -0.4049 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
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  2  4  1  0  0  0  0
  3 31  1  0  0  0  0
  4  5  1  0  0  0  0
  4 30  2  0  0  0  0
  5  6  2  0  0  0  0
  5 32  1  0  0  0  0
  6  7  1  0  0  0  0
  6 33  1  0  0  0  0
  7  8  1  0  0  0  0
  7 14  2  0  0  0  0
  8  9  1  0  0  0  0
  8 13  1  0  0  0  0
  9 10  1  0  0  0  0
  9 34  1  0  0  0  0
  9 35  1  0  0  0  0
 10 11  1  0  0  0  0
 10 36  1  0  0  0  0
 10 37  1  0  0  0  0
 11 12  1  0  0  0  0
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 15 16  1  0  0  0  0
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 16 29  2  0  0  0  0
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 30 50  1  0  0  0  0
M  END
$$$$