Molecule FYI-1002579

A

Molecule Summary:

ID: FYI-1002579
Names:
InChIKey: OROBBPJTCDFXDK-UHFFFAOYSA-N
SMILES: Cc4ccc(C(=O)Nc1ccccc1C(=O)Nc3ccc2OCOc2c3)cc4

Received at FYIcenter.com on: 2023-04-10

Molecule ID: FYI-1002579 Edit

Molecule Structure InChIKey: OROBBPJTCDFXDK-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc4ccc(C(=O)Nc1ccccc1C(=O)Nc3ccc2OCOc2c3)cc4

Download SDF Download SVG Structure in 2D SDF:

FYI-1002579
FYIcenter.com

 28 31  0  0  0  0  0  0  0  0999 V2000
    8.4871    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8186    2.5326    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6415    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8186    0.2674    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  7  2  1  0  0  0  0
  8  5  1  0  0  0  0
  9  8  2  0  0  0  0
 10  8  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 16 11  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  2  0  0  0  0
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 20 19  1  0  0  0  0
 21 20  2  0  0  0  0
 22 21  1  0  0  0  0
 23 22  2  0  0  0  0
 24 23  1  0  0  0  0
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 25 20  1  0  0  0  0
 26 24  1  0  0  0  0
 27 26  1  0  0  0  0
 28 27  1  0  0  0  0
 28 23  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002579-3D
FYIcenter.com

 46 49  0     0  0  0  0  0  0999 V2000
    4.8022    1.1226    1.6248 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8425    1.6446   -0.4853 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7887   -1.5938    1.7661 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3455   -0.5458   -0.4100 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2959   -1.4500   -0.5251 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0569   -0.7686    0.0772 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4508   -0.6668   -0.5504 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1364    0.5763    0.5710 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6215   -2.7170    0.2962 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7305    0.8744   -0.6339 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8571   -2.1520    0.0543 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9938   -0.1934    0.6465 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0578   -0.3622   -1.7815 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5541   -1.8565    0.5915 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2146    0.4194   -1.8299 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8823    1.7975    0.9481 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4230   -4.0839    0.2737 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1344    1.4130   -0.0824 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9398   -2.9870   -0.2212 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2471   -0.0678   -0.1481 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5059   -4.9190   -0.0018 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7643   -4.3705   -0.2492 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9235    4.1597    0.0426 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2449    2.1501    0.2714 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.8103    5.6454    0.1093 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5907   -0.3807    1.6298 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9603   -1.7620   -1.4341 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.6854    0.6568   -2.7771 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8340    2.8658    1.1886 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8331    1.3962    1.3176 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.0464    1.4469   -0.6971 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.7947    5.9527    0.3811 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1 16  1  0  0  0  0
  2 10  1  0  0  0  0
  2 16  1  0  0  0  0
  3 14  2  0  0  0  0
  4 20  2  0  0  0  0
  5  7  1  0  0  0  0
  5 14  1  0  0  0  0
  5 30  1  0  0  0  0
  6 11  1  0  0  0  0
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  6 35  1  0  0  0  0
  7 12  2  0  0  0  0
  7 13  1  0  0  0  0
  8 10  2  0  0  0  0
  8 12  1  0  0  0  0
  9 11  1  0  0  0  0
  9 14  1  0  0  0  0
  9 17  2  0  0  0  0
 10 15  1  0  0  0  0
 11 19  2  0  0  0  0
 12 29  1  0  0  0  0
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 13 31  1  0  0  0  0
 15 32  1  0  0  0  0
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 16 34  1  0  0  0  0
 17 21  1  0  0  0  0
 17 36  1  0  0  0  0
 18 20  1  0  0  0  0
 18 24  2  0  0  0  0
 18 25  1  0  0  0  0
 19 22  1  0  0  0  0
 19 37  1  0  0  0  0
 21 22  2  0  0  0  0
 21 38  1  0  0  0  0
 22 39  1  0  0  0  0
 23 26  2  0  0  0  0
 23 27  1  0  0  0  0
 23 28  1  0  0  0  0
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 24 40  1  0  0  0  0
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 25 41  1  0  0  0  0
 26 42  1  0  0  0  0
 27 43  1  0  0  0  0
 28 44  1  0  0  0  0
 28 45  1  0  0  0  0
 28 46  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-04-25, 318👍, 0💬