Molecule FYI-1005860

A

Molecule Summary:

ID: FYI-1005860
Names:
InChIKey: LANWUAYMZWWASX-UHFFFAOYSA-N
SMILES: CN1C(=O)NCC1C(=O)NCc2ccc(Cl)c(C(F)(F)F)c2

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

Molecule ID: FYI-1005860 Edit

Molecule Structure InChIKey: LANWUAYMZWWASX-UHFFFAOYSA-N

Molecule Structure SMILES String: CN1C(=O)NCC1C(=O)NCc2ccc(Cl)c(C(F)(F)F)c2

Download SDF Download SVG Structure in 2D SDF:

FYI-1005860
FYIcenter.com

 22 23  0  0  0  0  0  0  0  0999 V2000
    7.5930    2.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6334    3.5077    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.0028    3.2166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5722    1.9376    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7028    4.4290    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7660    5.4694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8249    1.4000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.0249    1.4000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 C   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 15  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 18  1  0  0  0  0
 21 18  1  0  0  0  0
 22 17  2  0  0  0  0
 22 12  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005860-3D
FYIcenter.com

 35 36  0     1  0  0  0  0  0999 V2000
   -4.8229   -0.1489    1.7773 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.8329    2.1433   -1.4647 F   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8004    1.4329   -0.8712 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5054    2.3778    0.5897 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.7859    0.3522   -1.1891 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1364    2.1478    0.3853 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2411    0.0369   -0.1782 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5417    1.0542    1.7093 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2176   -1.8185   -0.5685 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1915   -0.8177    0.3435 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.8988   -0.2384    1.7226 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0054   -0.6800   -0.5606 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3982    1.1964    0.6031 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9634   -0.2622   -1.3981 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0025   -1.9336   -1.3422 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2015   -1.4797   -0.5684 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7855   -0.2443   -0.8483 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7359   -2.2935    0.4304 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9041    0.1772   -0.1296 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8544   -1.8721    1.1493 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4386   -0.6367    0.8692 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5011    1.5068   -0.4607 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5457   -1.8523    0.3952 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8358   -0.1154    1.9487 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3725   -0.8291    2.5131 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4644    1.7395    2.4541 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2675   -0.2725   -2.2406 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7316    0.4948   -1.5756 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4340   -1.2434   -1.2961 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4792   -2.6084    0.0144 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1107   -2.9855   -1.6284 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1120   -1.3592   -2.2694 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3592    0.3821   -1.6277 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2891   -3.2579    0.6572 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2589   -2.5181    1.9244 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 21  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
 17 33  1  0  0  0  0
 18 20  2  0  0  0  0
 18 34  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 35  1  0  0  0  0
M  END
$$$$

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2023-11-25, 1492👍, 0💬