Molecule FYI-1005804

A

Molecule Summary:

ID: FYI-1005804
Names:
InChIKey: ZRIUOMCNSUYCBT-UHFFFAOYSA-N
SMILES: O=[N+](O)c4cccc(Nc3nccc(Nc1ccc(Cl)cc1N2CCOCC2)n3)c4

Received at FYIcenter.com on: 2023-11-16

Molecule ID: FYI-1005804 Edit

Molecule Structure InChIKey: ZRIUOMCNSUYCBT-UHFFFAOYSA-N

Molecule Structure SMILES String: O=[N+](O)c4cccc(Nc3nccc(Nc1ccc(Cl)cc1N2CCOCC2)n3)c4

Download SDF Download SVG Structure in 2D SDF:

FYI-1005804
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
    1.2125    7.0000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    1.2125    8.4000    0.0000 O   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
    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
    2.4249    4.9000    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
    7.2747    4.9000    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
    8.4871    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    8.4000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    6.3000    0.0000 C   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
   10.9120    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    2.8000    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
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  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
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 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  2  0  0  0  0
 22 21  1  0  0  0  0
 23 21  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-1005804-3D
FYIcenter.com

 50 53  0  0  0  0  0  0  0  0999 V2000
   15.2632   -7.3959   -2.4853 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0605   -7.5354   -2.3915 N   0  3  0  0  0  0  0  0  0  0  0  0
   13.5458   -8.8030   -2.5199 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1999   -6.3955   -2.1827 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7550   -5.1121   -2.1268 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9210   -4.0100   -1.9801 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5399   -4.1933   -1.9041 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9645   -5.4740   -1.9699 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5695   -5.6627   -1.9478 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6247   -4.7772   -2.4701 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3974   -4.7464   -1.9473 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5479   -3.8525   -2.4925 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8802   -3.0041   -3.5267 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1529   -3.1297   -4.0314 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5204   -2.4230   -5.1865 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.5262   -2.6835   -6.1565 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5584   -3.6120   -5.9186 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5239   -3.9059   -6.8763 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4494   -3.3000   -8.1161 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6237   -3.6692   -9.3175 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   10.4317   -2.3869   -8.3895 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4552   -2.0404   -7.4305 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5078   -1.0700   -7.7288 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7918    0.0255   -8.6717 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2485    1.3306   -8.0639 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8474    1.2360   -7.7480 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5983    0.1412   -6.8465 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0698   -1.1974   -7.4464 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9985   -4.0087   -3.4969 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.8125   -6.5799   -2.0806 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3869   -9.2625   -2.6792 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.8297   -4.9640   -2.2107 H   0  0  0  0  0  0  0  0  0  0  0  0
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    9.1995   -6.1502   -1.1456 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5474   -3.8510   -2.0689 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1530   -2.3257   -3.9518 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3079   -1.4349   -5.1546 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6688   -4.1042   -4.9584 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3192   -4.6051   -6.6386 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3907   -1.9595   -9.3873 H   0  0  0  0  0  0  0  0  0  0  0  0
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    9.8616    0.1558   -8.8644 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3762    2.1536   -8.7729 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7999    1.5843   -7.1500 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5239    0.1099   -6.6509 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1042    0.3493   -5.8944 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5397   -1.3751   -8.3907 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8087   -2.0295   -6.7888 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3838   -7.5768   -2.1492 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
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 13 14  2  0  0  0  0
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 15 16  1  0  0  0  0
 15 38  1  0  0  0  0
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 16 22  2  0  0  0  0
 17 18  2  0  0  0  0
 17 39  1  0  0  0  0
 18 19  1  0  0  0  0
 18 40  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
 21 22  1  0  0  0  0
 21 41  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 28  1  0  0  0  0
 24 25  1  0  0  0  0
 24 42  1  0  0  0  0
 24 43  1  0  0  0  0
 25 26  1  0  0  0  0
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 25 45  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 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

2023-11-23, 530👍, 0💬