Molecule FYI-1005581

A

Molecule Summary:

ID: FYI-1005581
Names:
InChIKey: ZEPZQVZBOSXUFI-UHFFFAOYSA-N
SMILES: COc2cc1c(C)cc(=O)oc1cc2Nc3ccccc3C(=O)c4ccccc4

Received at FYIcenter.com on: 2023-11-06

Molecule ID: FYI-1005581 Edit

Molecule Structure InChIKey: ZEPZQVZBOSXUFI-UHFFFAOYSA-N

Molecule Structure SMILES String: COc2cc1c(C)cc(=O)oc1cc2Nc3ccccc3C(=O)c4ccccc4

Download SDF Download SVG Structure in 2D SDF:

FYI-1005581
FYIcenter.com

 29 32  0  0  0  0  0  0  0  0999 V2000
    4.8498    2.1000    0.0000 O   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    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
    1.2125    0.0000    0.0000 C   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
    0.0000    2.1000    0.0000 C   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
    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
    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4871    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6996   10.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    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
    8.4871    2.8000    0.0000 O   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
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 10  9  2  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
 14  9  1  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
 20 19  1  0  0  0  0
 21 20  2  0  0  0  0
 22 20  1  0  0  0  0
 23 22  2  0  0  0  0
 24 23  1  0  0  0  0
 25 23  1  0  0  0  0
 25 18  2  0  0  0  0
 26 25  1  0  0  0  0
 27 26  2  0  0  0  0
 27 16  1  0  0  0  0
 28 27  1  0  0  0  0
 29 28  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005581-3D
FYIcenter.com

 48 51  0  0  0  0  0  0  0  0999 V2000
    0.4010    0.9640   -1.0742 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7398    0.4892   -1.1541 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7478    1.4136   -1.0256 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8766    1.1017   -1.8200 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0389    1.8814   -1.7990 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2574    1.6051   -2.5747 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3813    0.4472   -3.5228 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3121    2.4274   -2.4145 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3119    3.5917   -1.5181 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3041    4.3013   -1.4127 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1447    3.8379   -0.8244 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0316    2.9867   -0.9530 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9309    3.3152   -0.1597 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7635    2.5361   -0.1767 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6847    2.8808    0.6657 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2550    4.1563    1.1061 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4587    5.2833    0.2870 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0531    6.5596    0.6793 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3812    6.7326    1.8820 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1373    5.6300    2.7012 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6011    4.3503    2.3449 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3814    3.2067    3.2801 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2163    2.0783    2.8191 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3756    3.3871    4.7617 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  1 32  1  0  0  0  0
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  3 14  2  0  0  0  0
  4  5  2  0  0  0  0
  4 33  1  0  0  0  0
  5  6  1  0  0  0  0
  5 12  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  2  0  0  0  0
  7 34  1  0  0  0  0
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  8  9  1  0  0  0  0
  8 37  1  0  0  0  0
  9 10  2  0  0  0  0
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 15 39  1  0  0  0  0
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 16 21  2  0  0  0  0
 17 18  2  0  0  0  0
 17 40  1  0  0  0  0
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 18 41  1  0  0  0  0
 19 20  2  0  0  0  0
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 20 21  1  0  0  0  0
 20 43  1  0  0  0  0
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 22 24  1  0  0  0  0
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 27 46  1  0  0  0  0
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 29 48  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-11-13, 2214👍, 0💬