Molecule FYI-1013690

A

Molecule Summary:

ID: FYI-1013690
Names:
InChIKey: HCOSXDNPFBRIMT-UHFFFAOYSA-N
SMILES: CC(=O)c4ccc(N(Cc1ccccc1)c2ccnc3cc(Cl)ccc23)cc4

Received at FYIcenter.com on: 2025-01-21

Molecule ID: FYI-1013690 Edit

Molecule Structure InChIKey: HCOSXDNPFBRIMT-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(=O)c4ccc(N(Cc1ccccc1)c2ccnc3cc(Cl)ccc23)cc4

Download SDF Download SVG Structure in 2D SDF:

FYI-1013690
FYIcenter.com

 28 31  0  0  0  0  0  0  0  0999 V2000
    6.0623   12.6000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.0623   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    8.4000    0.0000 N   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
    7.2747    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    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
    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
    4.8499    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   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
    4.8499    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747   10.5000    0.0000 C   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  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 10  5  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  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
 17 16  1  0  0  0  0
 18 17  2  0  0  0  0
 18 13  1  0  0  0  0
 19 11  1  0  0  0  0
 20 19  2  0  0  0  0
 21 20  1  0  0  0  0
 22 21  2  0  0  0  0
 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
 25 23  2  0  0  0  0
 26 22  1  0  0  0  0
 27 26  2  0  0  0  0
 27 19  1  0  0  0  0
 28  6  2  0  0  0  0
 28  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1013690-3D
FYIcenter.com

 47 50  0  0  0  0  0  0  0  0999 V2000
    1.5249    0.5980    1.5883 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2428   -0.8672    1.8045 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1226   -1.2530    2.1403 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3432   -1.8638    1.6334 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6150   -1.5099    1.1788 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6277   -2.4809    1.1069 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4217   -3.8146    1.5299 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5235   -4.7340    1.6229 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6491   -4.0745    2.3688 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9078   -3.7406    1.5820 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7908   -2.7992    2.1532 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0232   -2.5169    1.5764 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4067   -3.1676    0.4067 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5394   -4.0907   -0.1835 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2973   -4.3776    0.3995 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4832   -6.1786    1.6164 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2726   -6.9148    2.5215 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3691   -8.2887    2.4301 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7402   -9.0135    1.5046 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9259   -8.3753    0.6694 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2835   -9.2004   -0.2358 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3409   -8.7013   -1.1235 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5422   -9.7655   -2.2126 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.0506   -7.3481   -1.1253 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7580   -6.4872   -0.2718 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7132   -6.9615    0.6714 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1260   -4.1583    1.9336 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0998   -3.2016    1.9703 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6487    1.1793    1.8968 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7106    0.7942    0.5298 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3685    0.9268    2.2012 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8566   -0.4895    0.8906 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6066   -2.1671    0.7465 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9710   -4.6397    3.2439 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3033   -3.1438    2.8419 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5254   -2.2940    3.0801 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6988   -1.7976    2.0432 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3795   -2.9670   -0.0437 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8429   -4.6020   -1.0943 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6544   -5.1154   -0.0735 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8290   -6.4782    3.3369 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9829   -8.8525    3.1266 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5143  -10.2646   -0.2356 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2858   -6.9534   -1.7892 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5198   -5.4308   -0.3393 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8988   -5.1699    2.2589 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1072   -3.5045    2.2978 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 29  1  0  0  0  0
  1 30  1  0  0  0  0
  1 31  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 28  2  0  0  0  0
  5  6  2  0  0  0  0
  5 32  1  0  0  0  0
  6  7  1  0  0  0  0
  6 33  1  0  0  0  0
  7  8  1  0  0  0  0
  7 27  2  0  0  0  0
  8  9  1  0  0  0  0
  8 16  1  0  0  0  0
  9 10  1  0  0  0  0
  9 34  1  0  0  0  0
  9 35  1  0  0  0  0
 10 11  1  0  0  0  0
 10 15  2  0  0  0  0
 11 12  2  0  0  0  0
 11 36  1  0  0  0  0
 12 13  1  0  0  0  0
 12 37  1  0  0  0  0
 13 14  2  0  0  0  0
 13 38  1  0  0  0  0
 14 15  1  0  0  0  0
 14 39  1  0  0  0  0
 15 40  1  0  0  0  0
 16 17  1  0  0  0  0
 16 26  2  0  0  0  0
 17 18  2  0  0  0  0
 17 41  1  0  0  0  0
 18 19  1  0  0  0  0
 18 42  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 20 26  1  0  0  0  0
 21 22  2  0  0  0  0
 21 43  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 44  1  0  0  0  0
 25 26  1  0  0  0  0
 25 45  1  0  0  0  0
 27 28  1  0  0  0  0
 27 46  1  0  0  0  0
 28 47  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2025-02-16, 1184👍, 0💬