Molecule FYI-1005832

A

Molecule Summary:

ID: FYI-1005832
Names:
InChIKey: DYWWMFHCJOFNBX-UHFFFAOYSA-N
SMILES: CN1C(=O)NCC1C(=O)NCc2cccc(C(F)(F)F)c2F

Received at FYIcenter.com on: 2023-11-17

Molecule ID: FYI-1005832 Edit

Molecule Structure InChIKey: DYWWMFHCJOFNBX-UHFFFAOYSA-N

Molecule Structure SMILES String: CN1C(=O)NCC1C(=O)NCc2cccc(C(F)(F)F)c2F

Download SDF Download SVG Structure in 2D SDF:

FYI-1005832
FYIcenter.com

 22 23  0  0  0  0  0  0  0  0999 V2000
    6.5680    2.5709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6084    3.5076    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9779    3.2165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5473    1.9376    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6779    4.4290    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7411    5.4694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4622    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2497    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2497    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0373    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8248    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6124    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1875    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1875    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    1.4000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.6124    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8248    2.8000    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  1  0  0  0  0
  7  6  1  0  0  0  0
  7  2  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  8  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 13  1  0  0  0  0
 15 14  2  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 17  1  0  0  0  0
 20 17  1  0  0  0  0
 21 16  2  0  0  0  0
 21 12  1  0  0  0  0
 22 21  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005832-3D
FYIcenter.com

 35 36  0     1  0  0  0  0  0999 V2000
   -2.1499    0.0858    1.8028 F   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1070    1.2832   -0.8800 F   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9573    0.5675    1.1678 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6879    2.1920    0.4942 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.2461   -1.3802   -0.5010 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6571    0.7692   -1.3222 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2175    0.1577    0.4466 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5710    1.7808   -0.9797 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8700   -0.7635    1.2726 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8630    0.4912    0.8445 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.5363    1.7348    0.0259 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9821   -0.6558    0.4551 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6128    0.8805   -0.6939 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0063   -0.8550    1.1185 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1475   -1.7740    1.0941 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2211   -1.3286    0.1438 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1831   -0.4063    0.5554 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2551   -1.8399   -1.1537 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1792    0.0049   -0.3302 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2512   -1.4286   -2.0393 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2133   -0.5063   -1.6275 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2097    0.9909    0.1060 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8285    0.6832    1.9217 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5561    1.7164   -0.4589 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6270    2.6447    0.6277 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5957    2.4466   -1.7455 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5160   -1.8262    1.0167 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0048   -0.9083    0.6770 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0881   -0.5920    2.1763 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7355   -0.0894    2.0207 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5805   -1.9891    2.0776 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3262   -2.6984    0.7434 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5113   -2.5578   -1.4888 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2774   -1.8263   -3.0496 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9803   -0.1994   -2.3332 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 17  1  0  0  0  0
  2 22  1  0  0  0  0
  3 22  1  0  0  0  0
  4 22  1  0  0  0  0
  5 12  2  0  0  0  0
  6 13  2  0  0  0  0
  7 10  1  0  0  0  0
  7 13  1  0  0  0  0
  7 14  1  0  0  0  0
  8 11  1  0  0  0  0
  8 13  1  0  0  0  0
  8 26  1  0  0  0  0
  9 12  1  0  0  0  0
  9 15  1  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
 10 23  1  0  0  0  0
 11 24  1  0  0  0  0
 11 25  1  0  0  0  0
 14 27  1  0  0  0  0
 14 28  1  0  0  0  0
 14 29  1  0  0  0  0
 15 16  1  0  0  0  0
 15 31  1  0  0  0  0
 15 32  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  2  0  0  0  0
 18 33  1  0  0  0  0
 19 21  2  0  0  0  0
 19 22  1  0  0  0  0
 20 21  1  0  0  0  0
 20 34  1  0  0  0  0
 21 35  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-11-23, 1186👍, 0💬