Molecule FYI-1002568

A

Molecule Summary:

ID: FYI-1002568
Names:
InChIKey: NFVXQTYTUQEIAL-UHFFFAOYSA-N
SMILES: O=C(Nc1ccccc1C(=O)Nc2cccc3ccccc23)c4ccccc4F

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

Molecule ID: FYI-1002568 Edit

Molecule Structure InChIKey: NFVXQTYTUQEIAL-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C(Nc1ccccc1C(=O)Nc2cccc3ccccc23)c4ccccc4F

Download SDF Download SVG Structure in 2D SDF:

FYI-1002568
FYIcenter.com

 29 32  0  0  0  0  0  0  0  0999 V2000
    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
    7.2747   10.5000    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
    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
    3.6374    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    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
    3.6374    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    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
    4.8499    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
    6.0623    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
    6.0623    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    4.2000    0.0000 F   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  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  6  1  1  0  0  0  0
  7  5  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  4  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 14 12  1  0  0  0  0
 15 14  2  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 19 14  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  2  0  0  0  0
 23 21  1  0  0  0  0
 24 23  2  0  0  0  0
 25 24  1  0  0  0  0
 26 25  2  0  0  0  0
 27 26  1  0  0  0  0
 28 27  2  0  0  0  0
 28 23  1  0  0  0  0
 29 28  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002568-3D
FYIcenter.com

 46 49  0     0  0  0  0  0  0999 V2000
    0.5737    1.5629   -0.1304 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2194   -1.9203    2.1042 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1643    0.1247   -0.8702 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2084   -1.4595    0.0222 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0899   -0.4346    0.0849 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0556    0.0935   -0.4028 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4080   -0.8510    0.4103 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2661    0.6759    0.0426 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9308   -2.5672    0.1922 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9459   -1.2156    1.6449 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0236   -1.8069   -0.1708 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5286    0.4724   -1.6482 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7933    0.2967    1.2879 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2281   -1.9368    0.8784 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9138    1.6202   -0.7704 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1365   -0.6430    2.0828 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1855    1.4124   -2.4428 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8631   -3.9233   -0.0601 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3759    1.9852   -2.0048 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0945   -2.4278   -0.8137 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9340   -4.5441   -0.7030 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0496   -3.7964   -1.0799 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1308    0.4096   -0.2752 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9229    1.8346    0.0956 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6375    2.3308    0.1459 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0259    2.6127    0.3773 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4459    3.6679    0.4939 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8343    3.9498    0.7254 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5443    4.4773    0.7837 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9713   -1.4369   -0.9646 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5095   -1.9794    2.2793 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5987    0.0703   -2.0388 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7241    0.7293    1.6490 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8452    2.0809   -0.4480 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5621   -0.9361    3.0381 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7662    1.6996   -3.4028 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0023   -4.5116    0.2306 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8863    2.7174   -2.6236 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0030   -1.9439   -1.1365 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2980   -0.0419    0.5857 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8995   -5.6098   -0.9098 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8835   -4.2821   -1.5787 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0359    2.2156    0.3425 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4413    4.0782    0.5394 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6893    4.5799    0.9527 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3952    5.5183    1.0551 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 25  1  0  0  0  0
  2 14  2  0  0  0  0
  3 23  2  0  0  0  0
  4  7  1  0  0  0  0
  4 14  1  0  0  0  0
  4 30  1  0  0  0  0
  5 11  1  0  0  0  0
  5 23  1  0  0  0  0
  5 40  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 12  2  0  0  0  0
  7 10  2  0  0  0  0
  8 13  1  0  0  0  0
  8 15  2  0  0  0  0
  9 11  1  0  0  0  0
  9 14  1  0  0  0  0
  9 18  2  0  0  0  0
 10 16  1  0  0  0  0
 10 31  1  0  0  0  0
 11 20  2  0  0  0  0
 12 17  1  0  0  0  0
 12 32  1  0  0  0  0
 13 16  2  0  0  0  0
 13 33  1  0  0  0  0
 15 19  1  0  0  0  0
 15 34  1  0  0  0  0
 16 35  1  0  0  0  0
 17 19  2  0  0  0  0
 17 36  1  0  0  0  0
 18 21  1  0  0  0  0
 18 37  1  0  0  0  0
 19 38  1  0  0  0  0
 20 22  1  0  0  0  0
 20 39  1  0  0  0  0
 21 22  2  0  0  0  0
 21 41  1  0  0  0  0
 22 42  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  2  0  0  0  0
 25 27  2  0  0  0  0
 26 28  1  0  0  0  0
 26 43  1  0  0  0  0
 27 29  1  0  0  0  0
 27 44  1  0  0  0  0
 28 29  2  0  0  0  0
 28 45  1  0  0  0  0
 29 46  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-04-26, 2552👍, 0💬