Molecule FYI-1001497

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A

Molecule Summary:

ID: FYI-1001497
SMILES: CO/C=N\\N=C(C1=CC=C(F)C=C1)\\[C@@H](C)N2N=C(N=C2)C(F)(F)F

Received at FYIcenter.com on: 2022-08-17

Molecule ID: FYI-1001497 Edit

Molecule Structure SMILES String: CO/C=NN=C(C1=CC=C(F)C=C1)[C@@H](C)N2N=C(N=C2)C(F)(F)F

Download SDF Download SVG Structure in 2D SDF:

FYI-1001497
FYIcenter.com

 24 25  0  0  1  0  0  0  0  0999 V2000
   12.2751    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0625    7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0625    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8501    5.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6377    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4253    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4253    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2128    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2128    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4253    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4253    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.6377    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6377    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2128    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2128    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0004    5.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7215    6.1694    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7846    5.1290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4846    3.9166    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8541    4.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3923    5.2753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2460    3.8830    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.4216    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.5386    6.6676    0.0000 F   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  5  2  0  0  0  0
  7  6  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
 11 10  1  0  0  0  0
 12 10  1  0  0  0  0
 13 12  2  0  0  0  0
 13  7  1  0  0  0  0
 14  6  1  0  0  0  0
 15 14  1  0  0  0  0
 14 16  1  6  0  0  0
 17 16  1  0  0  0  0
 18 17  2  0  0  0  0
 19 18  1  0  0  0  0
 20 19  2  0  0  0  0
 20 16  1  0  0  0  0
 21 18  1  0  0  0  0
 22 21  1  0  0  0  0
 23 21  1  0  0  0  0
 24 21  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001497-3D
FYIcenter.com

 37 38  0  0  1  0  0  0  0  0999 V2000
    1.2130   -0.1225    1.3046 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5363   -0.0797    0.7799 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2459    1.0379    1.0217 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4888    1.0275    0.7080 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1767    2.2131    0.8883 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4627    2.1005    0.6577 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1779    0.8179    0.2917 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6138   -0.0986   -0.6145 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2464   -1.3127   -0.8934 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4736   -1.5911   -0.3104 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0899   -2.7476   -0.5848 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.0732   -0.6837    0.5533 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4233    0.5141    0.8667 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3306    3.3603    0.7558 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.6367    4.5960    0.1759 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7909    3.6044    2.1193 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1122    3.7111    2.3766 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1325    3.9343    3.7088 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8648    3.9811    4.2702 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0615    3.7724    3.2530 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3983    4.1034    4.5288 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5350    3.8720    3.8106 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.5222    5.3595    5.0418 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.4427    3.2464    5.5882 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.7530   -1.0574    0.9702 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6174    0.7153    0.9320 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2517   -0.1231    2.3967 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6856    1.8755    1.4620 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6591    0.1026   -1.0948 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7808   -2.0402   -1.5507 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0365   -0.9186    0.9938 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9043    1.1803    1.5736 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2312    3.1991    0.1526 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7294    4.8587    0.7306 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3515    4.4197   -0.8667 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3027    5.4660    0.2033 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9810    3.7357    3.2825 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 25  1  0  0  0  0
  1 26  1  0  0  0  0
  1 27  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  3  0  0  0
  3 28  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  3  0  0  0
  6  7  1  0  0  0  0
  6 14  1  0  0  0  0
  7  8  2  0  0  0  0
  7 13  1  0  0  0  0
  8  9  1  0  0  0  0
  8 29  1  0  0  0  0
  9 10  2  0  0  0  0
  9 30  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 31  1  0  0  0  0
 13 32  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 33  1  6  0  0  0
 15 34  1  0  0  0  0
 15 35  1  0  0  0  0
 15 36  1  0  0  0  0
 16 17  1  0  0  0  0
 16 20  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 18 21  1  0  0  0  0
 19 20  2  0  0  0  0
 20 37  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 21 24  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-10-01, 1502👍, 0💬