Molecule FYI-1015491

A

Molecule Summary:

ID: FYI-1015491
Names:
InChIKey: ZOCHXGQBFHECJI-UHFFFAOYSA-N
SMILES: CCCCCCCCNC2CN=C(C(=O)Nc1cccc(C(F)(F)F)c1)C=N2

Received at FYIcenter.com on: 2025-09-05

Molecule ID: FYI-1015491 Edit

Molecule Structure InChIKey: ZOCHXGQBFHECJI-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCCCCCNC2CN=C(C(=O)Nc1cccc(C(F)(F)F)c1)C=N2

Download SDF Download SVG Structure in 2D SDF:

FYI-1015491
FYIcenter.com

 28 29  0  0  0  0  0  0  0  0999 V2000
   13.3368    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6114    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8238    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.2000    0.0000 C   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
    9.6995    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.8000    0.0000 N   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
    3.6373    2.8000    0.0000 C   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
    2.4248    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
    4.8497    0.7000    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
    0.5124    1.5876    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.9124    4.0124    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  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
  8  7  1  0  0  0  0
  9  1  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
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 16 13  1  0  0  0  0
 17 16  2  0  0  0  0
 18 16  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  2  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 21  1  0  0  0  0
 26 25  1  0  0  0  0
 27 25  1  0  0  0  0
 28 25  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015491-3D
FYIcenter.com

 55 56  0  0  1  0  0  0  0  0999 V2000
    0.9132    5.2317   -1.7453 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4315    5.1812   -1.7576 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9293    4.1291   -2.7446 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4521    4.0633   -2.7697 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9331    3.0058   -3.7633 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4544    2.9516   -3.7764 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9923    1.9044   -4.7512 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5185    1.9037   -4.6753 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0919    0.9001   -5.5607 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.5542    0.9487   -5.5575 C   0  0  3  0  0  0  0  0  0  0  0  0
   11.2280    0.6028   -4.1933 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8233   -0.7398   -3.6981 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.7212   -1.5942   -4.6828 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2743   -3.0134   -4.4029 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2514   -3.7574   -5.3726 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9151   -3.3000   -3.0929 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4670   -4.5681   -2.6444 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5935   -5.7218   -3.4251 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1022   -6.9515   -2.9915 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4852   -7.0515   -1.7530 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3714   -5.9239   -0.9274 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7078   -6.0534    0.4241 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2937   -7.3206    0.7071 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.5334   -5.6978    1.4472 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.6026   -5.2683    0.5424 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.8736   -4.6816   -1.3784 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0673   -1.2118   -6.1087 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0216   -0.0043   -6.5668 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5626    5.9876   -1.0370 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4940    4.2645   -1.4496 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5240    5.4847   -2.7369 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7961    4.9522   -0.7494 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8262    6.1672   -2.0297 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.5260    3.1469   -2.4697 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8297    3.8275   -1.7669 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5285    2.0250   -3.4861 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8166    2.7262   -2.7655 H   0  0  0  0  0  0  0  0  0  0  0  0
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    8.8023    1.6949   -3.6386 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8933    2.9008   -4.9374 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7931    1.0692   -6.5200 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8931    1.9443   -5.8685 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9668    1.3489   -3.4361 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3206    0.6286   -4.2964 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9104   -2.5105   -2.4553 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0876   -5.7113   -4.3910 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2045   -7.8255   -3.6296 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0970   -8.0178   -1.4336 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7673   -3.8064   -0.7393 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3819   -2.0463   -6.7564 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 29  1  0  0  0  0
  1 30  1  0  0  0  0
  1 31  1  0  0  0  0
  2  3  1  0  0  0  0
  2 32  1  0  0  0  0
  2 33  1  0  0  0  0
  3  4  1  0  0  0  0
  3 34  1  0  0  0  0
  3 35  1  0  0  0  0
  4  5  1  0  0  0  0
  4 36  1  0  0  0  0
  4 37  1  0  0  0  0
  5  6  1  0  0  0  0
  5 38  1  0  0  0  0
  5 39  1  0  0  0  0
  6  7  1  0  0  0  0
  6 40  1  0  0  0  0
  6 41  1  0  0  0  0
  7  8  1  0  0  0  0
  7 42  1  0  0  0  0
  7 43  1  0  0  0  0
  8  9  1  0  0  0  0
  8 44  1  0  0  0  0
  8 45  1  0  0  0  0
  9 10  1  0  0  0  0
  9 46  1  0  0  0  0
 10 11  1  0  0  0  0
 10 28  1  0  0  0  0
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 11 12  1  0  0  0  0
 11 48  1  0  0  0  0
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 12 13  2  0  0  0  0
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 13 27  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 50  1  0  0  0  0
 17 18  1  0  0  0  0
 17 26  2  0  0  0  0
 18 19  2  0  0  0  0
 18 51  1  0  0  0  0
 19 20  1  0  0  0  0
 19 52  1  0  0  0  0
 20 21  2  0  0  0  0
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 21 22  1  0  0  0  0
 21 26  1  0  0  0  0
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 22 24  1  0  0  0  0
 22 25  1  0  0  0  0
 26 54  1  0  0  0  0
 27 28  2  0  0  0  0
 27 55  1  0  0  0  0
M  END
$$$$

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2025-09-24, 1167👍, 0💬