Molecule FYI-1007838

A

Molecule Summary:

ID: FYI-1007838
Names:
InChIKey: HTYNOQCWDIOBGD-UHFFFAOYSA-N
SMILES: O=[N+](O)c4cccc(Nc3nccc(Nc1cc(Cl)ccc1N2CCOCC2)n3)c4

Received at FYIcenter.com on: 2024-03-18

Molecule ID: FYI-1007838 Edit

Molecule Structure InChIKey: HTYNOQCWDIOBGD-UHFFFAOYSA-N

Molecule Structure SMILES String: O=[N+](O)c4cccc(Nc3nccc(Nc1cc(Cl)ccc1N2CCOCC2)n3)c4

Download SDF Download SVG Structure in 2D SDF:

FYI-1007838
FYIcenter.com

 30 33  0  0  0  0  0  0  0  0999 V2000
    2.4249    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.7000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0622    9.1000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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    9.6995    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1243    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
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  8  7  1  0  0  0  0
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  9  4  1  0  0  0  0
 10  8  1  0  0  0  0
 11 10  1  0  0  0  0
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 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
 22 20  2  0  0  0  0
 23 22  1  0  0  0  0
 24 23  2  0  0  0  0
 24 18  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
 28 27  1  0  0  0  0
 29 28  1  0  0  0  0
 30 29  1  0  0  0  0
 30 25  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007838-3D
FYIcenter.com

 50 53  0  0  0  0  0  0  0  0999 V2000
    1.7210   -7.0068   -4.2291 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6118   -6.1884   -4.3400 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.2861   -4.8586   -4.2104 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9607   -6.6023   -4.6464 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2537   -7.9567   -4.8308 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5495   -8.3375   -5.1728 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5442   -7.3680   -5.3339 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2725   -6.0100   -5.1154 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2914   -5.0643   -5.3467 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4290   -3.8178   -4.7233 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0803   -3.6802   -3.4363 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2909   -2.4840   -2.8708 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8103   -1.4117   -3.5502 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1333   -1.6213   -4.8738 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7346   -0.5520   -5.5757 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4204   -0.5965   -6.8140 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3185   -1.6644   -7.0220 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1243   -1.7169   -8.1494 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2866   -2.9733   -8.3152 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   11.0138   -0.7378   -9.1199 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1026    0.3091   -8.9446 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2991    0.4373   -7.7884 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5038    1.5629   -7.6363 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8965    2.8693   -8.2033 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7444    3.9399   -7.1089 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4118    3.9663   -6.5655 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0494    2.6778   -6.0342 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1275    1.5822   -7.1176 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9552   -2.8245   -5.4588 N   0  0  0  0  0  0  0  0  0  0  0  0
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    1.3358   -4.9779   -4.0493 H   0  0  0  0  0  0  0  0  0  0  0  0
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    9.4566    3.7590   -6.2945 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0313    2.7548   -5.6426 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7157    2.4516   -5.1925 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4480    1.8478   -7.9378 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7843    0.6181   -6.7347 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7276   -4.5843   -4.6348 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
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  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  2  0  0  0  0
  7 34  1  0  0  0  0
  8  9  1  0  0  0  0
  8 30  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
 10 29  2  0  0  0  0
 11 12  2  0  0  0  0
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 20 40  1  0  0  0  0
 21 22  1  0  0  0  0
 21 41  1  0  0  0  0
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 27 46  1  0  0  0  0
 27 47  1  0  0  0  0
 28 48  1  0  0  0  0
 28 49  1  0  0  0  0
 30 50  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-03-23, 911👍, 0💬