Molecule FYI-1015489

A

Molecule Summary:

ID: FYI-1015489
Names:
InChIKey: JWHWSOFHGJFZKH-UHFFFAOYSA-N
SMILES: CCCCCCNC2CN=C(C(=O)Nc1cccc(C(F)(F)F)c1)C=N2

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

Molecule ID: FYI-1015489 Edit

Molecule Structure InChIKey: JWHWSOFHGJFZKH-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCCCNC2CN=C(C(=O)Nc1cccc(C(F)(F)F)c1)C=N2

Download SDF Download SVG Structure in 2D SDF:

FYI-1015489
FYIcenter.com

 26 27  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
   15.7616    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9740    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
   19.3989    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
    8.4869    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4869    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
    7.2745    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    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
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    3.6372    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
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  6  5  1  0  0  0  0
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  9  8  1  0  0  0  0
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 13  8  1  0  0  0  0
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 15 14  2  0  0  0  0
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 17 16  1  0  0  0  0
 18 17  2  0  0  0  0
 19 18  1  0  0  0  0
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 21 20  1  0  0  0  0
 22 21  2  0  0  0  0
 22 17  1  0  0  0  0
 23 19  1  0  0  0  0
 24 23  1  0  0  0  0
 25 23  1  0  0  0  0
 26 23  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015489-3D
FYIcenter.com

 49 50  0  0  1  0  0  0  0  0999 V2000
    0.7863    1.1592   -1.6596 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3040    1.1242   -1.6854 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8250   -0.2191   -2.1952 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3499   -0.2267   -2.2125 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9158   -1.5534   -2.7188 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4425   -1.4970   -2.6833 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0160   -2.7634   -3.1174 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4769   -2.7280   -3.1369 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.1504   -2.5095   -1.7468 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7280   -3.5413   -0.7602 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6174   -4.7150   -1.3230 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1669   -5.9014   -0.4955 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1415   -6.9808   -1.0723 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8232   -5.6241    0.8188 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4433   -6.5882    1.7789 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6000   -7.9626    1.5621 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1960   -8.8975    2.5115 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6254   -8.4750    3.7064 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4710   -7.1052    3.9659 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8548   -6.6504    5.2652 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5244   -7.6763    6.1001 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.6850   -5.8435    5.9820 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.7079   -5.9399    5.0804 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.8891   -6.1671    2.9954 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9668   -4.9368   -2.7814 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9344   -4.0091   -3.6821 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4370    2.1304   -1.2959 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3889    0.3838   -0.9973 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4424   -0.4075   -3.2053 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4582   -1.0277   -1.5514 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5642   -1.7466   -3.7398 H   0  0  0  0  0  0  0  0  0  0  0  0
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    8.9013   -1.5197   -1.3512 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.8064   -4.6388    1.0685 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0570   -8.3518    0.6580 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3257   -9.9583    2.3120 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3070   -9.2197    4.4350 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7571   -5.1051    3.1990 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2731   -5.9618   -3.0399 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 27  1  0  0  0  0
  1 28  1  0  0  0  0
  1 29  1  0  0  0  0
  2  3  1  0  0  0  0
  2 30  1  0  0  0  0
  2 31  1  0  0  0  0
  3  4  1  0  0  0  0
  3 32  1  0  0  0  0
  3 33  1  0  0  0  0
  4  5  1  0  0  0  0
  4 34  1  0  0  0  0
  4 35  1  0  0  0  0
  5  6  1  0  0  0  0
  5 36  1  0  0  0  0
  5 37  1  0  0  0  0
  6  7  1  0  0  0  0
  6 38  1  0  0  0  0
  6 39  1  0  0  0  0
  7  8  1  0  0  0  0
  7 40  1  0  0  0  0
  8  9  1  0  0  0  0
  8 26  1  0  0  0  0
  8 41  1  0  0  0  0
  9 10  1  0  0  0  0
  9 42  1  0  0  0  0
  9 43  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 25  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 44  1  0  0  0  0
 15 16  1  0  0  0  0
 15 24  2  0  0  0  0
 16 17  2  0  0  0  0
 16 45  1  0  0  0  0
 17 18  1  0  0  0  0
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 19 20  1  0  0  0  0
 19 24  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 20 23  1  0  0  0  0
 24 48  1  0  0  0  0
 25 26  2  0  0  0  0
 25 49  1  0  0  0  0
M  END
$$$$

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2025-09-24, 742👍, 0💬