Molecule FYI-1007828

A

Molecule Summary:

ID: FYI-1007828
Names:
InChIKey: STTNFQAGXQHCFZ-UHFFFAOYSA-N
SMILES: O=[N+](O)c4cccc(Nc3nccc(Nc2ccc(N1CCOCC1)cc2Cl)n3)c4

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

Molecule ID: FYI-1007828 Edit

Molecule Structure InChIKey: STTNFQAGXQHCFZ-UHFFFAOYSA-N

Molecule Structure SMILES String: O=[N+](O)c4cccc(Nc3nccc(Nc2ccc(N1CCOCC1)cc2Cl)n3)c4

Download SDF Download SVG Structure in 2D SDF:

FYI-1007828
FYIcenter.com

 30 33  0  0  0  0  0  0  0  0999 V2000
    2.4248    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    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
    1.2124    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
    1.2124    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    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    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2747    8.4001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    9.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    8.4001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    6.3000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.4871   10.5001    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747   11.2001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747   12.6001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871   13.3001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995   12.6001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995   11.2001    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  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
  9  4  1  0  0  0  0
 10  8  1  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
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 16 11  1  0  0  0  0
 17 15  1  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
 22 21  1  0  0  0  0
 23 22  2  0  0  0  0
 23 18  1  0  0  0  0
 24 23  1  0  0  0  0
 25 21  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-1007828-3D
FYIcenter.com

 50 53  0  0  0  0  0  0  0  0999 V2000
   13.1253    2.0088   -7.9734 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6307    2.8436   -7.2535 N   0  3  0  0  0  0  0  0  0  0  0  0
   14.9871    3.0525   -7.3529 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8323    3.5905   -6.3117 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4510    4.5341   -5.4895 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6821    5.2576   -4.5883 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3065    5.0275   -4.5019 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6660    4.0581   -5.2876 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2886    3.7829   -5.2064 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3766    4.0466   -4.1794 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2915    3.2624   -4.1348 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4739    3.4220   -3.0767 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6959    4.3289   -2.0686 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7937    5.1396   -2.2231 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0619    6.1367   -1.2559 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8873    7.2684   -1.4845 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7963    7.9758   -2.6864 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6031    9.0914   -2.9345 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5281    9.5622   -1.9956 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3794   10.6065   -2.2807 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.7885   10.9390   -3.6552 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3038   11.2080   -3.6745 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6809   12.2255   -2.7309 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3050   11.8352   -1.3976 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7894   11.6085   -1.2857 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5789    8.8804   -0.7706 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7740    7.7576   -0.5168 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9455    6.9509    1.0055 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.6200    4.9953   -3.2695 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.4492    3.3598   -6.2196 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1650    2.4003   -8.0503 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.5213    4.7160   -5.5439 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0201    4.4270   -1.2311 H   0  0  0  0  0  0  0  0  0  0  0  0
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    9.4763    9.5959   -3.8888 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2439   11.8327   -3.9823 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5835   10.1301   -4.3645 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.6091   11.5452   -4.6699 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.8618   10.2911   -3.4472 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.6148   12.6361   -0.7196 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.8572   10.9283   -1.1230 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2666   12.5468   -1.5117 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5296   11.3362   -0.2588 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2942    9.1827   -0.0112 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9886    2.6142   -6.8649 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 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
 12 13  1  0  0  0  0
 12 36  1  0  0  0  0
 13 14  2  0  0  0  0
 13 37  1  0  0  0  0
 14 15  1  0  0  0  0
 14 29  1  0  0  0  0
 15 16  1  0  0  0  0
 15 38  1  0  0  0  0
 16 17  1  0  0  0  0
 16 27  2  0  0  0  0
 17 18  2  0  0  0  0
 17 39  1  0  0  0  0
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 18 40  1  0  0  0  0
 19 20  1  0  0  0  0
 19 26  2  0  0  0  0
 20 21  1  0  0  0  0
 20 25  1  0  0  0  0
 21 22  1  0  0  0  0
 21 41  1  0  0  0  0
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 22 23  1  0  0  0  0
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 22 44  1  0  0  0  0
 23 24  1  0  0  0  0
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 25 47  1  0  0  0  0
 25 48  1  0  0  0  0
 26 27  1  0  0  0  0
 26 49  1  0  0  0  0
 27 28  1  0  0  0  0
 30 50  1  0  0  0  0
M  END
$$$$

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2024-03-23, 1096👍, 0💬