Molecule FYI-1007869

A

Molecule Summary:

ID: FYI-1007869
Names:
InChIKey: WEIUCMCFIASXKN-UHFFFAOYSA-N
SMILES: O=[N+](O)c4ccc(CN1CCOCC1)c(Nc3ccnc(Nc2cccc(Cl)c2Cl)n3)c4

Received at FYIcenter.com on: 2024-03-19

Molecule ID: FYI-1007869 Edit

Molecule Structure InChIKey: WEIUCMCFIASXKN-UHFFFAOYSA-N

Molecule Structure SMILES String: O=[N+](O)c4ccc(CN1CCOCC1)c(Nc3ccnc(Nc2cccc(Cl)c2Cl)n3)c4

Download SDF Download SVG Structure in 2D SDF:

FYI-1007869
FYIcenter.com

 32 35  0  0  0  0  0  0  0  0999 V2000
    1.2124    4.9000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    9.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0622    9.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0622    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4248    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
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 27 22  1  0  0  0  0
 28 17  1  0  0  0  0
 29 28  2  0  0  0  0
 30 28  1  0  0  0  0
 31  6  2  0  0  0  0
 31  2  1  0  0  0  0
 32 31  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007869-3D
FYIcenter.com

 53 56  0  0  0  0  0  0  0  0999 V2000
    2.9881    1.4511    0.4597 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3904    0.4003    0.3577 N   0  3  0  0  0  0  0  0  0  0  0  0
    1.0769    0.4386   -0.0507 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0307   -0.8518    0.6837 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3165   -2.0377    0.5530 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9238   -3.2426    0.9036 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2528   -3.3003    1.3871 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7505   -4.6841    1.7790 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8763   -4.9485    3.2247 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3471   -6.3422    3.4509 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.9918   -2.0969    1.4702 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2732   -1.9651    2.0605 N   0  0  0  0  0  0  0  0  0  0  0  0
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    9.5761   -3.4196    2.4517 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7027   -4.1622    1.3461 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6715   -4.1608    0.4862 C   0  0  0  0  0  0  0  0  0  0  0  0
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 23 29  2  0  0  0  0
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 26 27  2  0  0  0  0
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 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
 29 30  1  0  0  0  0
 32 53  1  0  0  0  0
M  END
$$$$

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2024-03-23, 1307👍, 0💬