Molecule FYI-1009121

A

Molecule Summary:

ID: FYI-1009121
Names:
InChIKey: WIKYUJGCLQQFNW-UHFFFAOYSA-N
SMILES: CN4CCN(CCCn3c1ccccc1sc2ccc(Cl)cc23)CC4

Received at FYIcenter.com on: 2024-05-01

Molecule ID: FYI-1009121 Edit

Molecule Structure InChIKey: WIKYUJGCLQQFNW-UHFFFAOYSA-N

Molecule Structure SMILES String: CN4CCN(CCCn3c1ccccc1sc2ccc(Cl)cc23)CC4

Download SDF Download SVG Structure in 2D SDF:

FYI-1009121
FYIcenter.com

 25 28  0  0  0  0  0  0  0  0999 V2000
   12.1243    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    2.1000    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 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    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 S   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
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    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
    6.0622    0.0000    0.0000 Cl  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  1  0  0  0  0
  5  4  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  5  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  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  2  0  0  0  0
 17 12  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  2  0  0  0  0
 20 11  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  2  0  0  0  0
 23 22  1  0  0  0  0
 24 23  2  0  0  0  0
 24 19  1  0  0  0  0
 25 22  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1009121-3D
FYIcenter.com

 49 52  0     0  0  0  0  0  0999 V2000
   -1.4866   -4.8788    0.2745 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -4.4560    0.6694    0.2443 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.3762   -0.4644   -0.4530 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9844    0.3076    0.5266 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5123    0.2163   -0.6468 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5558    0.7365    0.3718 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5931   -0.7416   -1.2259 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2216   -0.3191   -1.3372 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7669    0.5851    1.2986 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8051   -0.8923   -0.3000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9217   -0.1220   -0.5541 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3049    0.0140   -1.4581 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1381    0.1605    1.4118 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2082   -0.9401   -0.2122 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8529    1.5494   -0.3043 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5407   -0.8592    0.2385 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1503    1.8770    0.1368 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5955   -2.2119   -0.1756 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9088    2.5985   -0.3532 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2237   -2.0081    0.6758 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4808    3.1994    0.4823 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2775   -3.3497    0.2646 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2413    3.9102   -0.0038 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5940   -3.2482    0.6877 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5295    4.2117    0.4110 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6734    1.6325   -0.2524 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7056    0.9031    1.0387 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4716   -1.6758   -1.7876 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7840    0.0565   -1.9562 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3623    0.5197   -2.0315 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1161   -1.2261   -1.9460 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8907    1.5188    1.8606 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5764   -0.2131    2.0291 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6807   -1.7853    0.3277 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6953   -1.0513   -0.9206 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9844    0.7618    0.0799 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8109   -0.9536    0.1496 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4047   -0.8661   -2.1073 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1665    0.8367   -2.1724 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0515   -0.0015    0.8288 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0217   -0.6765    2.1097 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2950    1.0754    1.9938 H   0  0  0  0  0  0  0  0  0  0  0  0
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    0.1110    2.4526   -0.6920 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2568   -1.9482    1.0126 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4859    3.4553    0.8114 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4915    4.6938   -0.0643 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1424   -4.1215    1.0304 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7939    5.2297    0.6798 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 22  1  0  0  0  0
  2 16  1  0  0  0  0
  2 17  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  4 13  1  0  0  0  0
  5 12  1  0  0  0  0
  5 14  1  0  0  0  0
  5 15  1  0  0  0  0
  6  9  1  0  0  0  0
  6 26  1  0  0  0  0
  6 27  1  0  0  0  0
  7 10  1  0  0  0  0
  7 28  1  0  0  0  0
  7 29  1  0  0  0  0
  8 11  1  0  0  0  0
  8 30  1  0  0  0  0
  8 31  1  0  0  0  0
  9 32  1  0  0  0  0
  9 33  1  0  0  0  0
 10 34  1  0  0  0  0
 10 35  1  0  0  0  0
 11 12  1  0  0  0  0
 11 36  1  0  0  0  0
 11 37  1  0  0  0  0
 12 38  1  0  0  0  0
 12 39  1  0  0  0  0
 13 40  1  0  0  0  0
 13 41  1  0  0  0  0
 13 42  1  0  0  0  0
 14 16  2  0  0  0  0
 14 18  1  0  0  0  0
 15 17  1  0  0  0  0
 15 19  2  0  0  0  0
 16 20  1  0  0  0  0
 17 21  2  0  0  0  0
 18 22  2  0  0  0  0
 18 43  1  0  0  0  0
 19 23  1  0  0  0  0
 19 44  1  0  0  0  0
 20 24  2  0  0  0  0
 20 45  1  0  0  0  0
 21 25  1  0  0  0  0
 21 46  1  0  0  0  0
 22 24  1  0  0  0  0
 23 25  2  0  0  0  0
 23 47  1  0  0  0  0
 24 48  1  0  0  0  0
 25 49  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-05-05, 213👍, 0💬