Molecule FYI-1015490

A

Molecule Summary:

ID: FYI-1015490
Names:
InChIKey: CNOPRUBNVFEKJI-UHFFFAOYSA-N
SMILES: CCCCCCCNC2CN=C(C(=O)Nc1cccc(C(F)(F)F)c1)C=N2

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

Molecule ID: FYI-1015490 Edit

Molecule Structure InChIKey: CNOPRUBNVFEKJI-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCCCCNC2CN=C(C(=O)Nc1cccc(C(F)(F)F)c1)C=N2

Download SDF Download SVG Structure in 2D SDF:

FYI-1015490
FYIcenter.com

 27 28  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
   18.1866    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
   20.6113    4.2000    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
    3.6372    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
    3.6372    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
  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  1  1  0  0  0  0
  9  8  1  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
 14  9  1  0  0  0  0
 15 12  1  0  0  0  0
 16 15  2  0  0  0  0
 17 15  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 20 19  1  0  0  0  0
 21 20  2  0  0  0  0
 22 21  1  0  0  0  0
 23 22  2  0  0  0  0
 23 18  1  0  0  0  0
 24 20  1  0  0  0  0
 25 24  1  0  0  0  0
 26 24  1  0  0  0  0
 27 24  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015490-3D
FYIcenter.com

 52 53  0  0  1  0  0  0  0  0999 V2000
    3.8165    4.2873   -2.2972 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5362    3.1163   -1.6505 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1245    2.1824   -2.7042 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8444    1.0036   -2.0544 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4213    0.0731   -3.1159 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1325   -1.1184   -2.4784 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7120   -2.0223   -3.5634 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4254   -3.1315   -2.9449 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.0478   -4.0132   -3.9263 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.1528   -3.3437   -4.7997 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2164   -2.7263   -3.9607 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.4848   -3.4697   -2.9203 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5126   -3.0029   -1.9138 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8246   -3.8182   -1.0543 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9689   -1.7042   -2.0625 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.9385   -1.0810   -1.2456 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7081   -1.7964   -0.3239 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6326   -1.1581    0.5032 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8094    0.2144    0.4128 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0761    0.9617   -0.5209 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2815    2.4535   -0.6212 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2291    2.9300    0.2365 F   0  0  0  0  0  0  0  0  0  0  0  0
   15.6776    2.8434   -1.8633 F   0  0  0  0  0  0  0  0  0  0  0  0
   14.1487    3.1570   -0.3484 F   0  0  0  0  0  0  0  0  0  0  0  0
   14.1414    0.3027   -1.3534 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8134   -4.8130   -2.7059 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6525   -5.1250   -3.1862 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4000    4.9466   -1.5299 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9948    3.9391   -2.9311 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5028    4.8742   -2.9161 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8332    2.5650   -1.0153 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3339    3.4946   -1.0008 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8259    2.7372   -3.3396 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3243    1.8103   -3.3558 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1465    0.4475   -1.4172 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6513    1.3717   -1.4091 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1264    0.6287   -3.7468 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6179   -0.2864   -3.7706 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.9378   -0.7574   -1.8259 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3856   -1.4196   -4.1778 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9060   -2.3971   -4.2065 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7829   -3.7000   -2.3964 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2821   -4.4373   -4.5891 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7169   -2.5711   -5.4425 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6103   -4.0858   -5.4676 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5088   -1.1631   -2.7939 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.6311   -2.8734   -0.2242 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.2076   -1.7429    1.2166 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.5267    0.7001    1.0734 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.5678    0.8886   -2.0666 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3882   -5.5375   -2.1091 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 28  1  0  0  0  0
  1 29  1  0  0  0  0
  1 30  1  0  0  0  0
  2  3  1  0  0  0  0
  2 31  1  0  0  0  0
  2 32  1  0  0  0  0
  3  4  1  0  0  0  0
  3 33  1  0  0  0  0
  3 34  1  0  0  0  0
  4  5  1  0  0  0  0
  4 35  1  0  0  0  0
  4 36  1  0  0  0  0
  5  6  1  0  0  0  0
  5 37  1  0  0  0  0
  5 38  1  0  0  0  0
  6  7  1  0  0  0  0
  6 39  1  0  0  0  0
  6 40  1  0  0  0  0
  7  8  1  0  0  0  0
  7 41  1  0  0  0  0
  7 42  1  0  0  0  0
  8  9  1  0  0  0  0
  8 43  1  0  0  0  0
  9 10  1  0  0  0  0
  9 27  1  0  0  0  0
  9 44  1  0  0  0  0
 10 11  1  0  0  0  0
 10 45  1  0  0  0  0
 10 46  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 26  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 47  1  0  0  0  0
 16 17  1  0  0  0  0
 16 25  2  0  0  0  0
 17 18  2  0  0  0  0
 17 48  1  0  0  0  0
 18 19  1  0  0  0  0
 18 49  1  0  0  0  0
 19 20  2  0  0  0  0
 19 50  1  0  0  0  0
 20 21  1  0  0  0  0
 20 25  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 21 24  1  0  0  0  0
 25 51  1  0  0  0  0
 26 27  2  0  0  0  0
 26 52  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2025-09-24, 597👍, 0💬