Molecule FYI-1000211

Home > Molecule

A

Molecule Summary:

ID: FYI-1000211
SMILES: COC1=C(Cl)C=C(Cl)C(NC2=C(C=NC3=CC(OCCCN4CCN(C)CC4)=C(OC)C=C23)C#N)=C1

Received at FYIcenter.com on: 2020-12-22

Molecule ID: FYI-1000211 Edit

Molecule Structure SMILES String: COC1=C(Cl)C=C(Cl)C(NC2=C(C=NC3=CC(OCCCN4CCN(C)CC4)=C(OC)C=C23)C#N)=C1

Download SDF Download SVG Structure in 2D SDF:

FYI-1000211
FYIcenter.com

 36 39  0  0  0  0  0  0  0  0999 V2000
   15.7618    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9742    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9742    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1866    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    7.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   18.1866    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9742    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9742    2.8000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   15.7618    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7618    7.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.7618    6.3000    0.0000 C   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  4  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  9  7  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
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
 25 24  1  0  0  0  0
 26 25  1  0  0  0  0
 27 25  1  0  0  0  0
 28 27  1  0  0  0  0
 28 22  1  0  0  0  0
 29 17  2  0  0  0  0
 30 29  1  0  0  0  0
 31 30  1  0  0  0  0
 32 29  1  0  0  0  0
 33 32  2  0  0  0  0
 33 11  1  0  0  0  0
 33 15  1  0  0  0  0
 34 12  1  0  0  0  0
 35 34  3  0  0  0  0
 36  9  2  0  0  0  0
 36  3  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1000211-3D
FYIcenter.com

 65 68  0  0  0  0  0  0  0  0999 V2000
    2.3001   -0.6409   -0.0654 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6148    0.3179   -0.8658 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3909    1.0743   -1.7062 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8417    2.2505   -2.2309 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2385    2.7529   -1.8249 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.5914    3.0656   -3.0827 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8873    2.6888   -3.4435 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7808    3.7213   -4.5038 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.4510    1.4935   -2.9663 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7018    1.0254   -3.4327 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1817   -0.3045   -3.5657 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3369   -1.3708   -3.9462 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8323   -2.6615   -3.8871 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0827   -2.9635   -3.5120 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9173   -1.9572   -3.2422 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2254   -2.3121   -3.0033 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2586   -1.3762   -2.8556 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5787   -1.7828   -2.8586 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7905   -3.0219   -3.5620 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2401   -3.2038   -3.9967 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4052   -4.4889   -4.8371 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5183   -4.5652   -6.0078 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.7123   -3.4663   -6.9689 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6715   -3.5545   -8.1066 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7303   -4.8029   -8.8875 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.8925   -4.8271   -9.7704 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7089   -5.9563   -7.9633 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6397   -5.8557   -6.7202 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9125   -0.0268   -2.7491 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7266    1.0521   -2.5304 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1088    0.8222   -2.2966 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5613    0.3429   -2.9229 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5453   -0.6012   -3.2383 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0098   -1.2123   -4.4669 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9344   -1.1396   -4.8888 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6879    0.7133   -2.0831 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5925   -1.0470    0.6619 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1204   -0.1726    0.4905 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6654   -1.4757   -0.6739 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1609    3.9848   -3.4713 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3555    1.7674   -3.6687 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2228   -3.5206   -4.1569 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4327   -3.3791   -3.0010 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1608   -3.0410   -4.4593 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5228   -3.8526   -2.8982 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.8798   -3.2625   -3.1079 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.5860   -2.3215   -4.5464 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1728   -5.3371   -4.1784 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.4549   -4.5956   -5.1339 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.7319   -3.4811   -7.3741 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5722   -2.4950   -6.4853 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7706   -2.6853   -8.7677 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6668   -3.4737   -7.6682 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9016   -3.9389  -10.4137 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8406   -5.6914  -10.4408 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.8449   -4.8669   -9.2329 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9272   -6.8825   -8.5103 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6765   -6.0660   -7.6054 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.6779   -6.0177   -7.0369 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3754   -6.6741   -6.0390 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5674    1.7855   -2.0494 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6006    0.4537   -3.2019 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2700    0.1590   -1.4411 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3207    1.4022   -2.8550 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1287   -0.2003   -1.7006 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 37  1  0  0  0  0
  1 38  1  0  0  0  0
  1 39  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3 36  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6 40  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 36  2  0  0  0  0
 10 11  1  0  0  0  0
 10 41  1  0  0  0  0
 11 12  2  0  0  0  0
 11 33  1  0  0  0  0
 12 13  1  0  0  0  0
 12 34  1  0  0  0  0
 13 14  2  0  0  0  0
 13 42  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 33  1  0  0  0  0
 16 17  1  0  0  0  0
 16 43  1  0  0  0  0
 17 18  1  0  0  0  0
 17 29  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 44  1  0  0  0  0
 19 45  1  0  0  0  0
 20 21  1  0  0  0  0
 20 46  1  0  0  0  0
 20 47  1  0  0  0  0
 21 22  1  0  0  0  0
 21 48  1  0  0  0  0
 21 49  1  0  0  0  0
 22 23  1  0  0  0  0
 22 28  1  0  0  0  0
 23 24  1  0  0  0  0
 23 50  1  0  0  0  0
 23 51  1  0  0  0  0
 24 25  1  0  0  0  0
 24 52  1  0  0  0  0
 24 53  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
 26 54  1  0  0  0  0
 26 55  1  0  0  0  0
 26 56  1  0  0  0  0
 27 28  1  0  0  0  0
 27 57  1  0  0  0  0
 27 58  1  0  0  0  0
 28 59  1  0  0  0  0
 28 60  1  0  0  0  0
 29 30  1  0  0  0  0
 29 32  1  0  0  0  0
 30 31  1  0  0  0  0
 31 61  1  0  0  0  0
 31 62  1  0  0  0  0
 31 63  1  0  0  0  0
 32 33  2  0  0  0  0
 32 64  1  0  0  0  0
 34 35  3  0  0  0  0
 36 65  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2021-08-01, 2326👍, 0💬