Molecule FYI-1005808

A

Molecule Summary:

ID: FYI-1005808
Names:
InChIKey: OCJGOVQICMCUKZ-UHFFFAOYSA-N
SMILES: O=[N+](O)c1ccccc1Nc4nccc(Nc2ccc(F)cc2CN3CCOCC3)n4

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

Molecule ID: FYI-1005808 Edit

Molecule Structure InChIKey: OCJGOVQICMCUKZ-UHFFFAOYSA-N

Molecule Structure SMILES String: O=[N+](O)c1ccccc1Nc4nccc(Nc2ccc(F)cc2CN3CCOCC3)n4

Download SDF Download SVG Structure in 2D SDF:

FYI-1005808
FYIcenter.com

 31 34  0  0  0  0  0  0  0  0999 V2000
    1.2125    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.8000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    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
    4.8498    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    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
    3.6373    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.9000    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
    6.0622    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    8.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125   11.2000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747   10.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    9.1000    0.0000 O   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
    7.2747    9.1000    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  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
 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  2  0  0  0  0
 22 21  1  0  0  0  0
 23 21  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-1005808-3D
FYIcenter.com

 53 56  0  0  0  0  0  0  0  0999 V2000
    2.6867   -5.9099   -3.0526 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9690   -4.9953   -2.2992 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.1435   -3.7531   -2.8624 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2673   -5.2660   -0.9029 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4965   -6.6141   -0.5607 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8604   -6.9653    0.7342 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0199   -5.9668    1.6895 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7571   -4.6296    1.3664 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3340   -4.2514    0.0829 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0995   -2.8942   -0.2116 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6331   -1.8239    0.5720 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1130   -0.6326    0.2005 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5212    0.4522    0.7273 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4543    0.4065    1.5946 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0593   -0.8391    2.0077 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0391   -1.0704    2.9498 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0950   -0.4387    3.5236 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4535    0.8978    3.2886 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5939    1.4813    3.8771 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4116    0.7333    4.7130 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4933    1.2950    5.2674 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1174   -0.5914    4.9500 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9760   -1.1931    4.3695 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8063   -2.6836    4.6226 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6035   -3.5179    3.7131 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4767   -4.9518    4.0455 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1699   -5.5875    3.5486 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0566   -5.4629    2.1288 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0972   -4.0926    1.7216 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3301   -3.3482    2.2693 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6673   -1.9571    1.5096 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9024   -3.9986   -3.7835 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3973   -7.4009   -1.3086 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0285   -8.0063    0.9906 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3476   -6.2282    2.6928 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9141   -3.8729    2.1324 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8059   -2.5070   -0.8305 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9393    1.4027    0.4080 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0133    1.3225    1.9447 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0862   -2.0598    3.1459 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8876    1.5314    2.6208 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8595    2.5149    3.6741 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7927   -1.1707    5.5833 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1666   -2.8680    5.6455 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7489   -2.9628    4.6598 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3142   -5.4718    3.5630 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5936   -5.1137    5.1233 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1759   -6.6576    3.7750 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2883   -5.1545    4.0377 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1260   -4.0738    0.6270 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1615   -3.6281    2.0235 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2085   -3.7439    1.7437 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2961   -2.2948    1.9758 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  9  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  2  0  0  0  0
  7 35  1  0  0  0  0
  8  9  1  0  0  0  0
  8 36  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 37  1  0  0  0  0
 11 12  1  0  0  0  0
 11 31  2  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 38  1  0  0  0  0
 14 15  2  0  0  0  0
 14 39  1  0  0  0  0
 15 16  1  0  0  0  0
 15 31  1  0  0  0  0
 16 17  1  0  0  0  0
 16 40  1  0  0  0  0
 17 18  1  0  0  0  0
 17 23  2  0  0  0  0
 18 19  2  0  0  0  0
 18 41  1  0  0  0  0
 19 20  1  0  0  0  0
 19 42  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  2  0  0  0  0
 22 23  1  0  0  0  0
 22 43  1  0  0  0  0
 23 24  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 30  1  0  0  0  0
 26 27  1  0  0  0  0
 26 46  1  0  0  0  0
 26 47  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 29  1  0  0  0  0
 29 30  1  0  0  0  0
 29 50  1  0  0  0  0
 29 51  1  0  0  0  0
 30 52  1  0  0  0  0
 30 53  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-11-23, 798👍, 0💬