Molecule FYI-1013548

A

Molecule Summary:

ID: FYI-1013548
Names:
InChIKey: JCUCANIMZSRXPC-UHFFFAOYSA-N
SMILES: COc4ccc(CN3CCC([N+](=O)c2cccc(c1ccc(OC)cc1)c2)CC3)cc4

Received at FYIcenter.com on: 2025-01-06

Molecule ID: FYI-1013548 Edit

Molecule Structure InChIKey: JCUCANIMZSRXPC-UHFFFAOYSA-N

Molecule Structure SMILES String: COc4ccc(CN3CCC([N+](=O)c2cccc(c1ccc(OC)cc1)c2)CC3)cc4

Download SDF Download SVG Structure in 2D SDF:

FYI-1013548
FYIcenter.com

 31 34  0  0  0  0  0  0  0  0999 V2000
    7.2747   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   11.2000    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
    1.2125    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    7.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3000    0.0000 C   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
    1.2125    2.8000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 O   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
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    6.0622    2.8000    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
    8.4870    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    6.3000    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
    6.0622    4.2000    0.0000 C   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    4.9000    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
    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
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
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 15 14  2  0  0  0  0
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 17 16  2  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
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 21 20  1  0  0  0  0
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 23 22  1  0  0  0  0
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 27 14  1  0  0  0  0
 28 11  1  0  0  0  0
 29 28  1  0  0  0  0
 29  8  1  0  0  0  0
 30  6  1  0  0  0  0
 31 30  2  0  0  0  0
 31  3  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1013548-3D
FYIcenter.com

 60 63  0  0  0  0  0  0  0  0999 V2000
    1.4165   -1.4010   -0.6911 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3534   -0.4171   -0.2697 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9271    0.3446   -1.2511 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6286    0.2817   -2.6104 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2976    1.1112   -3.5187 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2776    2.0228   -3.0889 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9927    2.9134   -4.0886 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3910    4.2312   -4.3875 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0149    4.1186   -4.8685 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3863    5.4745   -5.1780 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4558    6.4193   -3.9797 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6005    5.9027   -2.8682 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.0945    5.6197   -1.7880 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1417    5.8119   -2.9495 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5793    6.4759   -3.9421 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9676    6.3826   -3.9607 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.6399    3.9407   -1.1254 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7205    3.1862   -1.6175 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3647    2.2174   -0.8429 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.4713    1.0281    1.2973 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.0493    1.0421   -4.5742 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0860    2.3561   -5.0303 H   0  0  0  0  0  0  0  0  0  0  0  0
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  5  6  1  0  0  0  0
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  7 38  1  0  0  0  0
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  9 10  1  0  0  0  0
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 21 48  1  0  0  0  0
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 31 60  1  0  0  0  0
M  END
$$$$

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