Molecule FYI-1007825

A

Molecule Summary:

ID: FYI-1007825
Names:
InChIKey: ALNXTKDAVXQRQS-UHFFFAOYSA-N
SMILES: O=[N+](O)c4ccc(Nc3nccc(Nc2ccc(N1CCOCC1)cc2Cl)n3)cc4

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

Molecule ID: FYI-1007825 Edit

Molecule Structure InChIKey: ALNXTKDAVXQRQS-UHFFFAOYSA-N

Molecule Structure SMILES String: O=[N+](O)c4ccc(Nc3nccc(Nc2ccc(N1CCOCC1)cc2Cl)n3)cc4

Download SDF Download SVG Structure in 2D SDF:

FYI-1007825
FYIcenter.com

 30 33  0  0  0  0  0  0  0  0999 V2000
    7.2747    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    7.0000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    6.0622    8.4000    0.0000 O   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
    3.6374    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    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
    3.6374    4.2000    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
    1.2125    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.0000    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
    2.4249    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    0.0000    0.0000 N   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
    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 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
    3.6374    2.8000    0.0000 Cl  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
    9.6996    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    4.9000    0.0000 C   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
  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
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 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 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  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-1007825-3D
FYIcenter.com

 50 53  0  0  0  0  0  0  0  0999 V2000
    9.3583  -12.4668   -5.6275 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9013  -12.7382   -4.5310 N   0  3  0  0  0  0  0  0  0  0  0  0
    9.1326  -14.0022   -4.0377 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0878  -11.7982   -3.8133 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8039  -10.5624   -4.3880 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9534   -9.6879   -3.7232 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4054  -10.0009   -2.4718 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5323   -9.1384   -1.7887 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9987   -7.9191   -2.2158 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7238   -7.0343   -1.2532 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3048   -5.8206   -1.6628 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1676   -5.4648   -2.9794 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4314   -6.4422   -3.9077 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2472   -6.1643   -5.2813 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0157   -7.1514   -6.2714 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1887   -8.2429   -5.9726 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9635   -9.2644   -6.8971 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5497   -9.2419   -8.1622 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3674  -10.2600   -9.0772 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1520  -11.0869   -9.1158 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4566  -12.5497   -8.7657 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5227  -13.0770   -9.5712 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7214  -12.3140   -9.3588 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5374  -10.8405   -9.7594 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3364   -8.1240   -8.4820 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5598   -7.0902   -7.5576 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5490   -5.7568   -8.0454 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.8232   -7.6664   -3.5186 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7066  -11.2434   -1.9069 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5577  -12.1438   -2.5684 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.3614  -10.7749  -10.8390 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4665  -10.3023   -9.5401 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7682   -8.0487   -9.4775 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2777  -11.5377   -0.9487 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7756  -13.1064   -2.1118 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 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
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 16 38  1  0  0  0  0
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 17 39  1  0  0  0  0
 18 19  1  0  0  0  0
 18 25  2  0  0  0  0
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 19 24  1  0  0  0  0
 20 21  1  0  0  0  0
 20 40  1  0  0  0  0
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 21 22  1  0  0  0  0
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 25 26  1  0  0  0  0
 25 48  1  0  0  0  0
 26 27  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, 152👍, 0💬