Molecule FYI-1002507

A

Molecule Summary:

ID: FYI-1002507
Names:
InChIKey: SUWWZCLBKHFFMV-UHFFFAOYSA-N
SMILES: Cc3c(c1ccncc1)c(c2ccc(F)cc2)nn3CC(F)F

Received at FYIcenter.com on: 2023-04-05

Molecule ID: FYI-1002507 Edit

Molecule Structure InChIKey: SUWWZCLBKHFFMV-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc3c(c1ccncc1)c(c2ccc(F)cc2)nn3CC(F)F

Download SDF Download SVG Structure in 2D SDF:

FYI-1002507
FYIcenter.com

 23 25  0  0  0  0  0  0  0  0999 V2000
    5.6246    5.8384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9804    6.9333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0490    7.6099    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1177    6.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4734    5.8384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9929    1.7267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9929    2.8779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9960    3.4535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9991    2.8779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9991    1.7267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9960    1.1512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9939    1.8188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9939    2.9700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9969    3.5456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.9700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.8188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9969    1.2433    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9960    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.0229    7.2890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0489    9.0099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1583    9.8638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9735   11.2516    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.4526    9.3300    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  1  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11  6  2  0  0  0  0
  1  8  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
 16 17  1  0  0  0  0
 17 12  2  0  0  0  0
  5 14  1  0  0  0  0
 11 18  1  0  0  0  0
  4 19  1  0  0  0  0
  3 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002507-3D
FYIcenter.com

 37 39  0     0  0  0  0  0  0999 V2000
    3.4965    2.7011   -0.7134 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.3207    0.7838   -1.3465 F   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8437    2.8337   -0.1185 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.3037    0.4980    0.6493 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2825    1.3708    0.6085 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7760   -4.1934   -0.5597 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5735   -0.7672    0.2289 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9323   -0.7956    0.4279 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2282    0.5920    0.3513 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6384    0.9867    0.9073 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2228   -1.9285   -0.0384 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0804    1.1705    0.2301 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9021   -1.9096    0.4293 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2558    1.6538   -0.3095 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9503   -2.0191   -1.2199 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2709   -2.9691    0.8828 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1016    0.7725    1.0931 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3306    2.1306   -0.7504 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3729    1.3343    0.9754 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6019    2.6923   -0.8683 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7044   -3.1622   -1.4311 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0553   -4.0697    0.5774 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6229    2.2943   -0.0054 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5583    1.7053    1.7311 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2629    0.1569    1.2486 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2205   -2.1408    1.4509 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4804   -2.8215   -0.0040 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7891   -1.6662   -0.1650 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2645    2.0185   -0.0976 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9261    0.0306    1.8685 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5486    2.4510   -1.4349 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9369   -1.2322   -1.9672 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2748   -2.9369    1.8204 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1679    1.0256    1.6477 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7974    3.4390   -1.6322 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2890   -3.2822   -2.3372 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1282   -4.9073    1.2634 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  1  0  0  0  0
  2 14  1  0  0  0  0
  3 23  1  0  0  0  0
  4  5  1  0  0  0  0
  4  8  1  0  0  0  0
  4 10  1  0  0  0  0
  5  9  2  0  0  0  0
  6 21  2  0  0  0  0
  6 22  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  7 11  1  0  0  0  0
  8 13  1  0  0  0  0
  9 12  1  0  0  0  0
 10 14  1  0  0  0  0
 10 24  1  0  0  0  0
 10 25  1  0  0  0  0
 11 15  2  0  0  0  0
 11 16  1  0  0  0  0
 12 17  2  0  0  0  0
 12 18  1  0  0  0  0
 13 26  1  0  0  0  0
 13 27  1  0  0  0  0
 13 28  1  0  0  0  0
 14 29  1  0  0  0  0
 15 21  1  0  0  0  0
 15 32  1  0  0  0  0
 16 22  2  0  0  0  0
 16 33  1  0  0  0  0
 17 19  1  0  0  0  0
 17 30  1  0  0  0  0
 18 20  2  0  0  0  0
 18 31  1  0  0  0  0
 19 23  2  0  0  0  0
 19 34  1  0  0  0  0
 20 23  1  0  0  0  0
 20 35  1  0  0  0  0
 21 36  1  0  0  0  0
 22 37  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-04-26, 530👍, 0💬