Molecule FYI-1005803

A

Molecule Summary:

ID: FYI-1005803
Names:
InChIKey: XGDLJRFRXXRBPY-UHFFFAOYSA-N
SMILES: O=[N+](O)c1cc(Cl)ccc1Nc4nccc(Nc2cc(Cl)ccc2N3CCOCC3)n4

Received at FYIcenter.com on: 2023-11-16

Molecule ID: FYI-1005803 Edit

Molecule Structure InChIKey: XGDLJRFRXXRBPY-UHFFFAOYSA-N

Molecule Structure SMILES String: O=[N+](O)c1cc(Cl)ccc1Nc4nccc(Nc2cc(Cl)ccc2N3CCOCC3)n4

Download SDF Download SVG Structure in 2D SDF:

FYI-1005803
FYIcenter.com

 31 34  0  0  0  0  0  0  0  0999 V2000
    1.2125    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.2000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    3.5000    0.0000 C   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
    3.6373    5.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    8.3999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    7.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    9.7999    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746   10.4999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    9.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996   10.4999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    9.7999    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.6996   11.8999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870   12.5999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746   11.8999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   12.5999    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   13.9999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499   14.6999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   13.9999    0.0000 O   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
    4.8499   11.8999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  2  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  6  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 10  4  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 17 12  1  0  0  0  0
 18 16  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  2  0  0  0  0
 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
 23 21  2  0  0  0  0
 24 23  1  0  0  0  0
 25 24  2  0  0  0  0
 25 19  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
 31 30  1  0  0  0  0
 31 26  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005803-3D
FYIcenter.com

 50 53  0  0  0  0  0  0  0  0999 V2000
    5.3561   -0.6323    7.7219 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4557   -0.2289    7.3865 N   0  3  0  0  0  0  0  0  0  0  0  0
    7.5650   -0.8237    7.9468 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6106    0.8845    6.4824 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7676    1.6686    6.6349 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0349    2.6841    5.7257 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4549    3.6427    5.9065 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.1717    2.9312    4.6728 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0160    2.1632    4.5313 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7091    1.1269    5.4333 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5323    0.3869    5.2710 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8593    0.0596    4.0994 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5267   -0.0757    2.9432 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8157   -0.4987    1.8876 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4726   -0.7843    1.9397 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8524   -0.5715    3.1534 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4481   -0.7003    3.2176 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4977   -0.1414    4.1193 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0664    0.5122    5.2934 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9600    1.0703    6.1977 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3720    1.7760    7.6513 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.3091    1.0460    5.9257 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7600    0.4498    4.7434 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8953   -0.1731    3.8102 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4333   -0.7674    2.6724 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7724   -0.8141    1.3568 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.9711   -0.8428    0.2444 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6194   -0.6760    1.5152 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.1060   -1.5050    8.4676 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.3420    2.3789    3.7028 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.9363   -1.1075    1.0587 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.6028   -1.1509    1.4454 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7752    0.3939    1.6992 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7173   -2.4010    2.4501 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3430   -1.2305    3.5907 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3 32  1  0  0  0  0
  4  5  1  0  0  0  0
  4 10  2  0  0  0  0
  5  6  2  0  0  0  0
  5 33  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 34  1  0  0  0  0
  9 10  1  0  0  0  0
  9 35  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 36  1  0  0  0  0
 12 13  1  0  0  0  0
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 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 14 37  1  0  0  0  0
 15 16  2  0  0  0  0
 15 38  1  0  0  0  0
 16 17  1  0  0  0  0
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 17 39  1  0  0  0  0
 18 19  1  0  0  0  0
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 19 40  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 41  1  0  0  0  0
 23 24  1  0  0  0  0
 23 42  1  0  0  0  0
 24 25  1  0  0  0  0
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 25 30  1  0  0  0  0
 26 27  1  0  0  0  0
 26 43  1  0  0  0  0
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 27 45  1  0  0  0  0
 27 46  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 29 47  1  0  0  0  0
 29 48  1  0  0  0  0
 30 49  1  0  0  0  0
 30 50  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-11-23, 1918👍, 0💬