Molecule FYI-1016832

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A

Molecule Summary:

ID: FYI-1016832
Names:
InChIKey: DDHRPGFXSVENTR-UHFFFAOYSA-N
SMILES: COC(=O)c1ccccc1NC(=O)c2ccccc2F

Received at FYIcenter.com on: 2026-03-20

Molecule ID: FYI-1016832 Edit

Molecule Structure InChIKey: DDHRPGFXSVENTR-UHFFFAOYSA-N

Molecule Structure SMILES String: COC(=O)c1ccccc1NC(=O)c2ccccc2F

Download SDF Download SVG Structure in 2D SDF:

FYI-1016832
FYIcenter.com

 20 21  0  0  0  0  0  0  0  0999 V2000
    6.0623    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    6.3000    0.0000 O   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
    3.6373    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    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
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    4.2000    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  3  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
 10  5  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 14 12  1  0  0  0  0
 15 14  2  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 19 14  1  0  0  0  0
 20 19  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016832-3D
FYIcenter.com

 32 33  0     0  0  0  0  0  0999 V2000
    1.3871   -1.4518    0.9265 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1474   -2.2293    0.1924 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1955    2.4382    0.2549 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1262   -1.9427   -0.8714 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0092    0.4396   -0.0274 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3412    0.8629   -0.0131 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3865   -0.0496   -0.1551 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4287    0.4801    0.0181 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6176    2.2206    0.1474 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1437    1.2225    0.1026 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7083    0.3956   -0.1370 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9395    2.6659    0.1655 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9848    1.7534    0.0232 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4725   -0.8317    0.4415 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5372    1.1303   -0.4825 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1325   -1.4747   -0.3266 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6801   -1.5250    0.3607 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7449    0.4370   -0.5634 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8162   -0.8907   -0.1418 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0127   -3.6506    0.0858 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1237   -0.5572   -0.1694 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8726    2.9937    0.2636 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5459   -0.2858   -0.2603 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1564    3.7230    0.2893 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0138    2.1010    0.0338 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4976    2.1614   -0.8208 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7354   -2.5588    0.6888 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6293    0.9302   -0.9560 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7564   -1.4309   -0.2051 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1196   -3.9859    0.6212 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9668   -3.9469   -0.9664 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8919   -4.1112    0.5437 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  1  0  0  0  0
  2 16  1  0  0  0  0
  2 20  1  0  0  0  0
  3 10  2  0  0  0  0
  4 16  2  0  0  0  0
  5  6  1  0  0  0  0
  5 10  1  0  0  0  0
  5 21  1  0  0  0  0
  6  7  1  0  0  0  0
  6  9  2  0  0  0  0
  7 11  2  0  0  0  0
  7 16  1  0  0  0  0
  8 10  1  0  0  0  0
  8 14  1  0  0  0  0
  8 15  2  0  0  0  0
  9 12  1  0  0  0  0
  9 22  1  0  0  0  0
 11 13  1  0  0  0  0
 11 23  1  0  0  0  0
 12 13  2  0  0  0  0
 12 24  1  0  0  0  0
 13 25  1  0  0  0  0
 14 17  2  0  0  0  0
 15 18  1  0  0  0  0
 15 26  1  0  0  0  0
 17 19  1  0  0  0  0
 17 27  1  0  0  0  0
 18 19  2  0  0  0  0
 18 28  1  0  0  0  0
 19 29  1  0  0  0  0
 20 30  1  0  0  0  0
 20 31  1  0  0  0  0
 20 32  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2026-04-13, 312👍, 0💬