Molecule FYI-1005800

A

Molecule Summary:

ID: FYI-1005800
Names:
InChIKey: KSXQQXWEVLDIFJ-UHFFFAOYSA-N
SMILES: O=[N+](O)c4ccc(Nc3nccc(Nc1cc(Cl)ccc1CN2CCOCC2)n3)cc4

Received at FYIcenter.com on: 2023-11-16

Molecule ID: FYI-1005800 Edit

Molecule Structure InChIKey: KSXQQXWEVLDIFJ-UHFFFAOYSA-N

Molecule Structure SMILES String: O=[N+](O)c4ccc(Nc3nccc(Nc1cc(Cl)ccc1CN2CCOCC2)n3)cc4

Download SDF Download SVG Structure in 2D SDF:

FYI-1005800
FYIcenter.com

 31 34  0  0  0  0  0  0  0  0999 V2000
    0.0000    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.0000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    1.2124    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    6.3000    0.0000 C   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
    4.8497    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    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
    2.4248    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9118    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9118    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.9000    0.0000 C   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  2  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
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
  9  4  1  0  0  0  0
 10  7  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
 16 11  1  0  0  0  0
 17 15  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
 22 20  2  0  0  0  0
 23 22  1  0  0  0  0
 24 23  2  0  0  0  0
 24 18  1  0  0  0  0
 25 24  1  0  0  0  0
 26 25  1  0  0  0  0
 27 26  1  0  0  0  0
 28 27  1  0  0  0  0
 29 28  1  0  0  0  0
 30 29  1  0  0  0  0
 31 30  1  0  0  0  0
 31 26  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005800-3D
FYIcenter.com

 53 56  0  0  0  0  0  0  0  0999 V2000
    5.9884    6.5892  -11.7108 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4096    5.4841  -11.4115 N   0  3  0  0  0  0  0  0  0  0  0  0
    6.7055    4.6170  -12.4334 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5679    5.1067  -10.0318 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1869    5.9924   -9.0295 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3107    5.6220   -7.6902 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8301    4.3756   -7.3164 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9053    3.9551   -5.9742 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6361    4.6789   -4.8068 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4414    4.4219   -3.7723 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2824    5.1940   -2.6819 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3505    6.1983   -2.5750 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5260    6.3658   -3.6573 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4292    7.2419   -3.6621 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2385    8.6561   -3.6034 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8717    9.0285   -3.7543 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4768   10.3433   -3.9942 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8267   10.7062   -4.3204 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.4237   11.3453   -4.0428 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7588   11.0209   -3.7994 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1996    9.6906   -3.5439 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6982    9.5197   -3.3413 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2186    9.8685   -1.9983 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2511   11.3171   -1.6877 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2792   12.1104   -2.5095 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6024   11.6154   -2.2945 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7144   10.2064   -2.5122 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6076    9.3735   -1.8302 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6500    5.5944   -4.7547 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2101    3.4937   -8.3431 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0889    3.8495   -9.6978 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4533    5.1945  -13.1718 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7811    6.9734   -9.2710 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    6.3434   -6.9422 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6689    3.3196   -5.7785 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9591    4.9635   -1.8641 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2556    6.7985   -1.6830 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9425    6.9411   -4.5137 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1044    8.2544   -3.7421 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1420   12.3686   -4.2783 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4814   11.8334   -3.8473 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2257   10.0633   -4.1333 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9379    8.4786   -3.5373 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5267   11.4200   -0.6282 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2616   11.7739   -1.7603 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2778   13.1557   -2.1805 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0459   12.1129   -3.5801 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6797    9.9118   -2.0838 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7631   10.0045   -3.5875 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8145    9.3569   -0.7522 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6894    8.3301   -2.1559 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6041    2.5075   -8.1043 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4009    3.1518  -10.4676 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3 32  1  0  0  0  0
  4  5  1  0  0  0  0
  4 31  2  0  0  0  0
  5  6  2  0  0  0  0
  5 33  1  0  0  0  0
  6  7  1  0  0  0  0
  6 34  1  0  0  0  0
  7  8  1  0  0  0  0
  7 30  2  0  0  0  0
  8  9  1  0  0  0  0
  8 35  1  0  0  0  0
  9 10  1  0  0  0  0
  9 29  2  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 36  1  0  0  0  0
 12 13  2  0  0  0  0
 12 37  1  0  0  0  0
 13 14  1  0  0  0  0
 13 29  1  0  0  0  0
 14 15  1  0  0  0  0
 14 38  1  0  0  0  0
 15 16  1  0  0  0  0
 15 21  2  0  0  0  0
 16 17  2  0  0  0  0
 16 39  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 40  1  0  0  0  0
 20 21  1  0  0  0  0
 20 41  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 42  1  0  0  0  0
 22 43  1  0  0  0  0
 23 24  1  0  0  0  0
 23 28  1  0  0  0  0
 24 25  1  0  0  0  0
 24 44  1  0  0  0  0
 24 45  1  0  0  0  0
 25 26  1  0  0  0  0
 25 46  1  0  0  0  0
 25 47  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 48  1  0  0  0  0
 27 49  1  0  0  0  0
 28 50  1  0  0  0  0
 28 51  1  0  0  0  0
 30 31  1  0  0  0  0
 30 52  1  0  0  0  0
 31 53  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-11-23, 823👍, 0💬