Molecule FYI-1002587

A

Molecule Summary:

ID: FYI-1002587
Names:
InChIKey: ZEWSYNWONBQWMF-UHFFFAOYSA-N
SMILES: Cc1ncccc1NC(=O)c2ccccc2NC(=O)c3ccc(Cl)cc3

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

Molecule ID: FYI-1002587 Edit

Molecule Structure InChIKey: ZEWSYNWONBQWMF-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc1ncccc1NC(=O)c2ccccc2NC(=O)c3ccc(Cl)cc3

Download SDF Download SVG Structure in 2D SDF:

FYI-1002587
FYIcenter.com

 26 28  0  0  0  0  0  0  0  0999 V2000
    4.8498    9.1000    0.0000 C   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
    6.0622    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    9.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    6.3000    0.0000 N   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
    3.6373    8.4000    0.0000 O   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
    1.2125    7.0000    0.0000 C   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
    2.4249    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    0.7000    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
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.0000    0.0000 Cl  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  3  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11  9  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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 18 17  1  0  0  0  0
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 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
 25 24  2  0  0  0  0
 25 20  1  0  0  0  0
 26 23  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002587-3D
FYIcenter.com

 42 44  0  0  0  0  0  0  0  0999 V2000
    1.1683   -2.1098   -4.3971 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4257   -0.9577   -3.4678 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1952    0.2621   -4.0271 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3897    1.3534   -3.2612 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8099    1.2908   -1.9474 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0310    0.0443   -1.3826 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8343   -1.1172   -2.1283 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1060   -2.4009   -1.5849 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3951   -2.6983   -0.2531 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2737   -1.9515    0.7119 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9753   -4.0518   -0.0225 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5355   -5.1289   -0.8191 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2207   -6.3403   -0.8107 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3147   -6.4989    0.0262 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6949   -5.4680    0.8881 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0455   -4.2234    0.8865 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4533   -3.1740    1.7764 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6746   -3.1236    2.4348 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5954   -3.9171    2.2331 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9551   -2.0327    3.4260 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0462   -1.0506    3.8331 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4443   -0.0779    4.7711 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7329   -0.0896    5.3072 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2174    1.1138    6.4375 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.6372   -1.0728    4.9277 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2440   -2.0360    3.9971 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9547   -1.7439   -5.4092 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2986   -2.6852   -4.0652 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0417   -2.7644   -4.4703 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1984    2.3048   -3.7474 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9752    2.1988   -1.3745 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3925    0.0141   -0.3613 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1855   -3.1460   -2.2655 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6653   -5.0350   -1.4637 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9119   -7.1553   -1.4603 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8776   -7.4294    0.0284 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5176   -5.6804    1.5641 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8027   -2.3879    1.8357 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0313   -1.0101    3.4502 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7414    0.6926    5.0823 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6429   -1.1015    5.3400 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9676   -2.8009    3.7158 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 27  1  0  0  0  0
  1 28  1  0  0  0  0
  1 29  1  0  0  0  0
  2  3  1  0  0  0  0
  2  7  2  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 30  1  0  0  0  0
  5  6  2  0  0  0  0
  5 31  1  0  0  0  0
  6  7  1  0  0  0  0
  6 32  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 33  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 16  2  0  0  0  0
 12 13  2  0  0  0  0
 12 34  1  0  0  0  0
 13 14  1  0  0  0  0
 13 35  1  0  0  0  0
 14 15  2  0  0  0  0
 14 36  1  0  0  0  0
 15 16  1  0  0  0  0
 15 37  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 38  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 26  2  0  0  0  0
 21 22  2  0  0  0  0
 21 39  1  0  0  0  0
 22 23  1  0  0  0  0
 22 40  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  2  0  0  0  0
 25 26  1  0  0  0  0
 25 41  1  0  0  0  0
 26 42  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-04-17, 2687👍, 0💬