Molecule FYI-1007868

A

Molecule Summary:

ID: FYI-1007868
Names:
InChIKey: VQQPIEKDYPEQKS-UHFFFAOYSA-N
SMILES: O=[N+](O)c4ccc(CN1CCOCC1)c(Nc3ccnc(Nc2cccc([N+](=O)O)c2Cl)n3)c4

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

Molecule ID: FYI-1007868 Edit

Molecule Structure InChIKey: VQQPIEKDYPEQKS-UHFFFAOYSA-N

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

Download SDF Download SVG Structure in 2D SDF:

FYI-1007868
FYIcenter.com

 34 37  0  0  0  0  0  0  0  0999 V2000
    0.0000   10.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2125   12.6000    0.0000 O   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
    3.6374   11.2000    0.0000 C   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
    4.8498    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
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    1.2125    8.4000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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 33  8  2  0  0  0  0
 33  4  1  0  0  0  0
 34 33  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007868-3D
FYIcenter.com

 56 59  0  0  0  0  0  0  0  0999 V2000
    3.0329   -0.6238   -1.7611 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4761   -0.0789   -0.8307 N   0  3  0  0  0  0  0  0  0  0  0  0
    1.1587   -0.3971   -0.5885 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1474    0.9304   -0.0407 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5241    1.4553    1.0838 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1298    2.5035    1.7794 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3665    3.0542    1.3680 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8168    4.3450    2.0374 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5914    4.3334    3.2756 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9116    3.7058    3.2565 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.0174    2.4925    0.2417 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.5423    2.9245   -3.0404 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6955    3.0377   -4.0720 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$

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2024-03-23, 143👍, 0💬