Molecule FYI-1004467

A

Molecule Summary:

ID: FYI-1004467
Names:
InChIKey: IHUFZJBEOJTCBE-UHFFFAOYSA-N
SMILES: O=C(Nc2cccc(C(=O)Nc1ccccc1)c2)c3ccccc3

Received at FYIcenter.com on: 2023-09-07

Molecule ID: FYI-1004467 Edit

Molecule Structure InChIKey: IHUFZJBEOJTCBE-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C(Nc2cccc(C(=O)Nc1ccccc1)c2)c3ccccc3

Download SDF Download SVG Structure in 2D SDF:

FYI-1004467
FYIcenter.com

 24 26  0  0  0  0  0  0  0  0999 V2000
    7.2746    9.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    9.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.4000    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
    1.2124    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.0000    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
    2.4249    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    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
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    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
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    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
    7.2746    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  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
  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
 12 11  2  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
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 16 15  2  0  0  0  0
 17  8  2  0  0  0  0
 17  4  1  0  0  0  0
 18  2  1  0  0  0  0
 19 18  2  0  0  0  0
 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
 23 18  1  0  0  0  0
  9 24  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004467-3D
FYIcenter.com

 40 42  0     0  0  0  0  0  0999 V2000
    3.5539   -1.9604   -0.7051 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9802   -1.7959    0.2467 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1213   -0.3893   -0.0215 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9088    0.1076    0.1964 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0334   -1.2958    0.0131 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3272   -1.7037   -0.0830 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2563   -0.8105   -0.1178 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2850   -2.6471    0.1779 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0920   -3.0686    0.0823 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6891   -1.2128   -0.2202 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2142   -3.5403    0.2127 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3801    0.4813   -0.0092 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1114    0.8552    0.1607 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4910   -0.6653    0.0919 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6252    0.4572    0.6191 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9863    1.6061   -0.7339 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2597    0.2651   -0.3392 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1117    2.1585    0.6273 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4764    1.5581    0.5229 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8375    2.7070   -0.8302 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4441    1.0008   -0.3738 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2963    2.8942    0.5927 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0825    2.6830   -0.2018 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4626    2.3155    0.0921 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3988    0.2533   -0.2842 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2637   -3.0898    0.2859 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9121   -3.7811    0.1173 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8337    0.5820   -0.1030 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3961   -4.6033    0.3426 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1347    0.6122    0.6193 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9494   -0.4071    1.1930 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0446    1.6572   -1.2723 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3273   -0.7438   -0.7173 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2091    2.6192    1.0191 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4455    1.5400    1.0128 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5351    3.5797   -1.4017 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3531    0.5514   -0.7634 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3106    3.9179    0.9554 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7460    3.5394   -0.2783 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3849    2.8883    0.0652 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  2  0  0  0  0
  2 14  2  0  0  0  0
  3  5  1  0  0  0  0
  3 14  1  0  0  0  0
  3 28  1  0  0  0  0
  4 10  1  0  0  0  0
  4 13  1  0  0  0  0
  4 30  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  2  0  0  0  0
  6  7  2  0  0  0  0
  6  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7 25  1  0  0  0  0
  8 11  1  0  0  0  0
  8 26  1  0  0  0  0
  9 11  2  0  0  0  0
  9 27  1  0  0  0  0
 11 29  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  2  0  0  0  0
 12 16  1  0  0  0  0
 13 17  2  0  0  0  0
 13 18  1  0  0  0  0
 15 19  1  0  0  0  0
 15 31  1  0  0  0  0
 16 20  2  0  0  0  0
 16 32  1  0  0  0  0
 17 21  1  0  0  0  0
 17 33  1  0  0  0  0
 18 22  2  0  0  0  0
 18 34  1  0  0  0  0
 19 23  2  0  0  0  0
 19 35  1  0  0  0  0
 20 23  1  0  0  0  0
 20 36  1  0  0  0  0
 21 24  2  0  0  0  0
 21 37  1  0  0  0  0
 22 24  1  0  0  0  0
 22 38  1  0  0  0  0
 23 39  1  0  0  0  0
 24 40  1  0  0  0  0
M  END
$$$$

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2023-09-10, 1387👍, 0💬