Molecule FYI-1014161

A

Molecule Summary:

ID: FYI-1014161
Names:
InChIKey: XEZJGIJEUUQXQE-SRZZPIQSSA-N
SMILES: O=C(O)c3ccc(/C=N/NC(=O)c2ccc(c1ccc(F)cc1)cc2)o3

Received at FYIcenter.com on: 2025-03-06

Molecule ID: FYI-1014161 Edit

Molecule Structure InChIKey: XEZJGIJEUUQXQE-SRZZPIQSSA-N

Molecule Structure SMILES String: O=C(O)c3ccc(/C=N/NC(=O)c2ccc(c1ccc(F)cc1)cc2)o3

Download SDF Download SVG Structure in 2D SDF:

FYI-1014161
FYIcenter.com

 26 28  0  0  0  0  0  0  0  0999 V2000
   11.7058    1.6831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4932    2.3831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4932    3.7831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7058    4.4831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9181    3.7831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9181    2.3831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2808    1.6832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0684    2.3832    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8559    1.6833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6435    2.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4310    1.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1521    2.2528    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2153    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9152    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2846    0.2910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8229    1.3589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2536    2.6378    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.2263    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2807    0.2832    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1306    4.4831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3430    3.7831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5554    4.4832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5554    5.8832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3430    6.5831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1305    5.8831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7678    6.5832    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 11 15  2  0  0  0  0
 11 12  1  0  0  0  0
 13 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
  7 19  2  0  0  0  0
  5 20  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 20 25  1  0  0  0  0
 20 21  2  0  0  0  0
 23 26  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014161-3D
FYIcenter.com

 39 41  0  0  0  0  0  0  0  0999 V2000
    0.8856   -0.0031   -0.2197 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8501   -0.3673    0.4351 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3073    0.3236    1.5110 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6517   -1.5480    0.1896 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5752   -2.4755   -0.8287 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5818   -3.4309   -0.5798 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2201   -3.0540    0.5863 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2855   -3.7030    1.3113 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7170   -4.8366    0.8650 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7080   -5.5005    1.5299 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1386   -6.7016    0.9719 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6942   -7.1661   -0.0770 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2181   -7.4548    1.6706 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4524   -7.3910    3.0450 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4605   -8.1867    3.6262 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2489   -9.0717    2.8619 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3049   -9.9314    3.4621 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1997  -10.4405    4.7720 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1845  -11.2787    5.3125 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2864  -11.6293    4.5465 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2189  -12.4437    5.0572 F   0  0  0  0  0  0  0  0  0  0  0  0
   13.4307  -11.1466    3.2564 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4532  -10.2981    2.7259 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9783   -9.1250    1.4837 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9879   -8.3304    0.8973 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6681   -1.8881    1.0559 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0926   -0.1211    1.8879 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8682   -2.4570   -1.6476 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8192   -4.3127   -1.1650 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6831   -3.2219    2.2197 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1472   -5.0874    2.3422 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8451   -6.7672    3.6933 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6159   -8.1067    4.7008 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3343  -10.2116    5.3895 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0901  -11.6674    6.3213 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.2971  -11.4306    2.6675 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6069   -9.9238    1.7156 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5193   -9.8110    0.8349 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8093   -8.4158   -0.1740 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 27  1  0  0  0  0
  4  5  2  0  0  0  0
  4 26  1  0  0  0  0
  5  6  1  0  0  0  0
  5 28  1  0  0  0  0
  6  7  2  0  0  0  0
  6 29  1  0  0  0  0
  7  8  1  0  0  0  0
  7 26  1  0  0  0  0
  8  9  2  0  0  0  0
  8 30  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 31  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 25  2  0  0  0  0
 14 15  2  0  0  0  0
 14 32  1  0  0  0  0
 15 16  1  0  0  0  0
 15 33  1  0  0  0  0
 16 17  1  0  0  0  0
 16 24  2  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 34  1  0  0  0  0
 19 20  1  0  0  0  0
 19 35  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 36  1  0  0  0  0
 23 37  1  0  0  0  0
 24 25  1  0  0  0  0
 24 38  1  0  0  0  0
 25 39  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2025-04-26, 1587👍, 0💬