Molecule FYI-1007835

A

Molecule Summary:

ID: FYI-1007835
Names:
InChIKey: SLEKASCYHAIBJL-UHFFFAOYSA-N
SMILES: O=[N+](O)c4ccc(Nc3nccc(Nc1cc(Cl)ccc1N2CCOCC2)n3)cc4

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

Molecule ID: FYI-1007835 Edit

Molecule Structure InChIKey: SLEKASCYHAIBJL-UHFFFAOYSA-N

Molecule Structure SMILES String: O=[N+](O)c4ccc(Nc3nccc(Nc1cc(Cl)ccc1N2CCOCC2)n3)cc4

Download SDF Download SVG Structure in 2D SDF:

FYI-1007835
FYIcenter.com

 30 33  0  0  0  0  0  0  0  0999 V2000
    7.2747   10.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   11.2000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    6.0622   12.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    8.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    2.8000    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
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.7000    0.0000 C   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
    6.0622    2.8000    0.0000 N   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
    8.4871    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.2000    0.0000 O   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
    6.0622    4.2000    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  7  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
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 15 14  1  0  0  0  0
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 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  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-1007835-3D
FYIcenter.com

 50 53  0  0  0  0  0  0  0  0999 V2000
    8.8945   -3.4054  -13.2620 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9211   -4.1243  -13.1903 N   0  3  0  0  0  0  0  0  0  0  0  0
    7.5939   -4.8833  -14.2917 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1372   -4.1888  -11.9765 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4574   -3.3589  -10.9030 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6814   -3.4062   -9.7434 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5737   -4.2618   -9.6399 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7671   -4.3089   -8.4845 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5192   -3.2202   -7.6422 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2862   -3.4431   -6.3476 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0985   -2.3466   -5.5868 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1590   -1.0561   -6.0681 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3856   -0.9188   -7.4187 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3366    0.3528   -8.0082 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0898    0.7473   -9.3522 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1954   -0.1762  -10.4152 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8853    0.1709  -11.7239 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0613   -0.9840  -12.9884 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.4277    1.4421  -12.0078 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3100    2.3732  -10.9718 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6462    2.0759   -9.6283 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4768    3.0680   -8.6684 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1441    2.8292   -7.2563 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0805    3.8303   -6.7802 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4591    5.1896   -7.0405 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6751    5.3798   -8.4493 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8085    4.4767   -8.9582 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5406   -1.9992   -8.1811 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2893   -5.1159  -10.7116 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0564   -5.0752  -11.8800 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3053   -4.5654  -14.8715 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.1183    3.6267   -7.2646 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9319    6.4306   -8.6060 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7389    5.1767   -8.9851 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7361    4.7224   -8.4259 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9906    4.6818  -10.0169 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4346   -5.7844  -10.6610 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7946   -5.7214  -12.7123 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  1  0  0  0  0
  7 29  2  0  0  0  0
  8  9  1  0  0  0  0
  8 34  1  0  0  0  0
  9 10  1  0  0  0  0
  9 28  2  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 35  1  0  0  0  0
 12 13  2  0  0  0  0
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 14 37  1  0  0  0  0
 15 16  1  0  0  0  0
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 16 38  1  0  0  0  0
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 19 20  2  0  0  0  0
 19 39  1  0  0  0  0
 20 21  1  0  0  0  0
 20 40  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 27  1  0  0  0  0
 23 24  1  0  0  0  0
 23 41  1  0  0  0  0
 23 42  1  0  0  0  0
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 27 47  1  0  0  0  0
 27 48  1  0  0  0  0
 29 30  1  0  0  0  0
 29 49  1  0  0  0  0
 30 50  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-03-23, 826👍, 0💬