Molecule FYI-1015696

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A

Molecule Summary:

ID: FYI-1015696
Names:
InChIKey: TVEBETSCDLFCMZ-UHFFFAOYSA-N
SMILES: Clc3ccc(c2ccc1nccnc1c2)cc3

Received at FYIcenter.com on: 2025-09-29

Molecule ID: FYI-1015696 Edit

Molecule Structure InChIKey: TVEBETSCDLFCMZ-UHFFFAOYSA-N

Molecule Structure SMILES String: Clc3ccc(c2ccc1nccnc1c2)cc3

Download SDF Download SVG Structure in 2D SDF:

FYI-1015696
FYIcenter.com

 17 19  0  0  0  0  0  0  0  0999 V2000
    8.4870    7.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    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
    4.8497    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 N   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
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    2.1000    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
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  5  2  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  7  4  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  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 11  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 17  8  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015696-3D
FYIcenter.com

 26 28  0  0  0  0  0  0  0  0999 V2000
   -2.1265   -0.0697   -0.0493 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.4083   -0.0338   -0.0312 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2572    1.0349    0.5579 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6559    1.0593    0.5759 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4189    0.0130    0.0219 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8994    0.0264    0.0717 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5933    0.6195    1.1369 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9903    0.6219    1.1779 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7388    0.0254    0.1790 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0845    0.0358    0.2591 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7475   -0.5772   -0.7437 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0935   -1.1832   -1.7962 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7478   -1.1960   -1.8962 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0676   -0.5886   -0.9032 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6780   -0.5651   -0.9396 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7125   -1.0522   -0.5698 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3137   -1.0752   -0.6031 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3003    1.8529    1.0060 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1421    1.9216    1.0279 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0591    1.0798    1.9653 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5025    1.0929    2.0138 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8293   -0.5693   -0.6751 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6357   -1.6780   -2.5943 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2011   -1.0293   -1.8011 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2429   -1.8969   -1.0053 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1988   -1.9120   -1.0693 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2 17  2  0  0  0  0
  3  4  2  0  0  0  0
  3 18  1  0  0  0  0
  4  5  1  0  0  0  0
  4 19  1  0  0  0  0
  5  6  1  0  0  0  0
  5 16  2  0  0  0  0
  6  7  1  0  0  0  0
  6 15  2  0  0  0  0
  7  8  2  0  0  0  0
  7 20  1  0  0  0  0
  8  9  1  0  0  0  0
  8 21  1  0  0  0  0
  9 10  1  0  0  0  0
  9 14  2  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 22  1  0  0  0  0
 12 13  2  0  0  0  0
 12 23  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 24  1  0  0  0  0
 16 17  1  0  0  0  0
 16 25  1  0  0  0  0
 17 26  1  0  0  0  0
M  END
$$$$

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2025-10-24, 636👍, 0💬