Molecule FYI-1002571

A

Molecule Summary:

ID: FYI-1002571
Names:
InChIKey: ILWPJPFYJLULCI-UHFFFAOYSA-N
SMILES: Cn2ncc(C(=O)Nc1ccc(F)cc1)c2C(=O)Nc3ccc(F)cc3

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

Molecule ID: FYI-1002571 Edit

Molecule Structure InChIKey: ILWPJPFYJLULCI-UHFFFAOYSA-N

Molecule Structure SMILES String: Cn2ncc(C(=O)Nc1ccc(F)cc1)c2C(=O)Nc3ccc(F)cc3

Download SDF Download SVG Structure in 2D SDF:

FYI-1002571
FYIcenter.com

 26 28  0  0  0  0  0  0  0  0999 V2000
    6.3806   10.6824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4210    9.7455    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    8.3532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5536    7.7839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4904    8.8242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7905   10.0366    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8446    6.4144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1762    5.9818    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8043    5.4776    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0954    4.1082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0550    3.1714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3461    1.8021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6775    1.3693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7179    2.3062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4269    3.6756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9685    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    7.6532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    6.2532    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    8.3532    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.6532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    8.3532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.6532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.2532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.5532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.2532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.5532    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  6  2  1  0  0  0  0
  7  4  1  0  0  0  0
  8  7  2  0  0  0  0
  9  7  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 15 10  1  0  0  0  0
 16 13  1  0  0  0  0
 17  3  1  0  0  0  0
 18 17  2  0  0  0  0
 19 17  1  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
 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-1002571-3D
FYIcenter.com

 40 42  0     0  0  0  0  0  0999 V2000
   -6.6974   -3.1590    0.0774 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.0098   -2.9008    0.1264 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4189    0.1914   -1.6398 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0278   -0.4547   -0.3925 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0011    3.1808   -0.0433 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0330    3.9833    0.2614 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5989    0.5667    0.3534 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9334    0.8277    0.1104 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6494    1.8767   -0.2329 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7093    1.8224   -0.0390 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5568    0.8228   -0.5656 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0752    3.1479    0.2625 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5703    0.6144   -0.1342 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3279    3.7445   -0.1367 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6460   -0.3848    0.2828 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9630   -0.1141    0.1146 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7417   -1.2362   -0.8181 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5812   -0.4707    1.3141 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6827   -1.4551   -0.1480 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2726    0.2854    0.3813 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7727   -2.1730   -0.8877 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6122   -1.4074    1.2445 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7118   -2.3966   -0.1437 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3018   -0.6561    0.3857 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7080   -2.2586    0.1437 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0214   -1.9970    0.1233 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0503    3.5567    0.4853 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8752    3.2522   -0.9442 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2483    4.8127   -0.3566 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8304    3.5950    0.8218 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6090    1.1405    1.1945 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2323    1.7774    0.3146 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0567   -1.2299   -1.6539 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5181    0.1867    2.1776 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6970   -1.8427   -0.3631 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5058    1.3270    0.5875 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8485   -2.8368   -1.7440 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3405   -1.4747    2.0472 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4955   -3.4411   -0.3481 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3215   -0.3455    0.5932 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 25  1  0  0  0  0
  2 26  1  0  0  0  0
  3 11  2  0  0  0  0
  4 13  2  0  0  0  0
  5  6  1  0  0  0  0
  5  9  1  0  0  0  0
  5 14  1  0  0  0  0
  6 12  2  0  0  0  0
  7 11  1  0  0  0  0
  7 15  1  0  0  0  0
  7 31  1  0  0  0  0
  8 13  1  0  0  0  0
  8 16  1  0  0  0  0
  8 32  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  1  0  0  0  0
 12 27  1  0  0  0  0
 14 28  1  0  0  0  0
 14 29  1  0  0  0  0
 14 30  1  0  0  0  0
 15 17  2  0  0  0  0
 15 18  1  0  0  0  0
 16 19  2  0  0  0  0
 16 20  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  1  0  0  0  0
 19 35  1  0  0  0  0
 20 24  2  0  0  0  0
 20 36  1  0  0  0  0
 21 25  2  0  0  0  0
 21 37  1  0  0  0  0
 22 25  1  0  0  0  0
 22 38  1  0  0  0  0
 23 26  2  0  0  0  0
 23 39  1  0  0  0  0
 24 26  1  0  0  0  0
 24 40  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-04-25, 2594👍, 0💬