Molecule FYI-1007806

A

Molecule Summary:

ID: FYI-1007806
Names:
InChIKey: ZABBCAHOZAHDFL-UHFFFAOYSA-N
SMILES: O=[N+](O)c4cccc(Nc3nccc(Nc2ccc(N1CCOCC1)cc2)n3)c4Cl

Received at FYIcenter.com on: 2024-03-17

Molecule ID: FYI-1007806 Edit

Molecule Structure InChIKey: ZABBCAHOZAHDFL-UHFFFAOYSA-N

Molecule Structure SMILES String: O=[N+](O)c4cccc(Nc3nccc(Nc2ccc(N1CCOCC1)cc2)n3)c4Cl

Download SDF Download SVG Structure in 2D SDF:

FYI-1007806
FYIcenter.com

 30 33  0  0  0  0  0  0  0  0999 V2000
    0.0000    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.0000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    1.2124    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    8.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871   11.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 Cl  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
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  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
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 17 16  1  0  0  0  0
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 19 18  1  0  0  0  0
 20 19  2  0  0  0  0
 21 20  1  0  0  0  0
 22 21  2  0  0  0  0
 22 17  1  0  0  0  0
 23 20  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
 28 27  1  0  0  0  0
 28 23  1  0  0  0  0
 29  8  2  0  0  0  0
 29  4  1  0  0  0  0
 30 29  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007806-3D
FYIcenter.com

 50 53  0  0  0  0  0  0  0  0999 V2000
   -0.9995   -3.7189   11.8749 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8932   -3.3334   10.7228 N   0  3  0  0  0  0  0  0  0  0  0  0
   -0.4132   -4.2212    9.7903 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3750   -2.0316   10.3522 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4925   -1.5190   11.0299 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0115   -0.2803   10.6686 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4454    0.4196    9.6026 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3451   -0.0892    8.8856 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8801    0.7078    7.8140 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2635    0.2681    6.6361 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6006    1.1207    6.0798 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3561    0.6307    5.0817 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3006   -0.6706    4.6526 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3327   -1.4654    5.2346 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2416   -2.8149    4.8182 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8588   -3.6656    5.0263 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1625   -3.2157    4.8100 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2673   -4.0553    4.9950 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1079   -5.3670    5.4468 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1722   -6.2050    5.7130 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4755   -6.1125    5.0394 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5969   -5.7719    6.0331 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5957   -6.6505    7.1717 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.7552   -1.2948    9.3295 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8296   -1.7740    8.7818 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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   -5.2060   -5.5271    8.2203 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2739   -8.0443    6.7003 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2451   -6.8700    7.5359 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6146   -6.8467    5.9380 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3134   -5.3946    5.6075 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 29  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 29  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 28  2  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
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 16 27  2  0  0  0  0
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 18 40  1  0  0  0  0
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 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
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 22 23  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 50  1  0  0  0  0
 29 30  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-03-23, 1206👍, 0💬