Molecule FYI-1007402

A

Molecule Summary:

ID: FYI-1007402
Names:
InChIKey: ANSPNMDINGOTEY-UHFFFAOYSA-N
SMILES: NC(C(=O)c1ccccc1)c2cccc(C(F)(F)F)c2

Received at FYIcenter.com on: 2024-02-20

Molecule ID: FYI-1007402 Edit

Molecule Structure InChIKey: ANSPNMDINGOTEY-UHFFFAOYSA-N

Molecule Structure SMILES String: NC(C(=O)c1ccccc1)c2cccc(C(F)(F)F)c2

Download SDF Download SVG Structure in 2D SDF:

FYI-1007402
FYIcenter.com

 20 21  0  0  0  0  0  0  0  0999 V2000
    1.2125    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.8000    0.0000 C   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    2.8000    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    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    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 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.7001    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.8001    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    1.4001    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
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  8 10  1  0  0  0  0
  8 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
 15 16  2  0  0  0  0
 11 16  1  0  0  0  0
 11 12  2  0  0  0  0
 13 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 17 20  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007402-3D
FYIcenter.com

 32 33  0  0  1  0  0  0  0  0999 V2000
    0.9754   -0.0033    0.1281 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4340    0.0705   -0.0527 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.8875   -0.1459   -1.5299 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4573    0.7228   -2.1880 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6931   -1.4789   -2.1884 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1737   -2.5933   -1.5241 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0599   -3.8221   -2.1813 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4456   -3.9445   -3.5122 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9390   -2.8357   -4.1996 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0736   -1.6116   -3.5344 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9206    1.4071    0.4888 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8232    1.4504    1.5588 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3540    2.6661    1.9832 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9937    3.8511    1.3405 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0832    3.8383    0.2776 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7600    5.0909   -0.4935 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4452    6.1855   -0.0552 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.0537    4.9809   -1.8197 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.4416    5.4288   -0.4320 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.5212    2.6143   -0.1129 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6090   -0.9358   -0.0195 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5067    0.6238   -0.5221 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9001   -0.7264    0.5396 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8459   -2.5487   -0.4916 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6647   -4.6845   -1.6503 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3527   -4.9005   -4.0217 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2217   -2.9224   -5.2404 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4755   -0.7612   -4.0850 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1411    0.5350    2.0522 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0746    2.6897    2.7972 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4520    4.7871    1.6555 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8174    2.5951   -0.9457 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 21  1  0  0  0  0
  1 22  1  0  0  0  0
  2  3  1  0  0  0  0
  2 11  1  0  0  0  0
  2 23  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 10  2  0  0  0  0
  6  7  2  0  0  0  0
  6 24  1  0  0  0  0
  7  8  1  0  0  0  0
  7 25  1  0  0  0  0
  8  9  2  0  0  0  0
  8 26  1  0  0  0  0
  9 10  1  0  0  0  0
  9 27  1  0  0  0  0
 10 28  1  0  0  0  0
 11 12  1  0  0  0  0
 11 20  2  0  0  0  0
 12 13  2  0  0  0  0
 12 29  1  0  0  0  0
 13 14  1  0  0  0  0
 13 30  1  0  0  0  0
 14 15  2  0  0  0  0
 14 31  1  0  0  0  0
 15 16  1  0  0  0  0
 15 20  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 19  1  0  0  0  0
 20 32  1  0  0  0  0
M  END
$$$$

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2024-02-28, 1108👍, 0💬