Molecule FYI-1001351

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A

Molecule Summary:

ID: FYI-1001351
SMILES: C1CN2C(=NN=C2C(F)(F)F)CN1C(=O)CC(CC3=CC(=C(C=C3F)F)F)N

Received at FYIcenter.com on: 2022-06-02

Molecule ID: FYI-1001351 Edit

Molecule Structure SMILES String: C1CN2C(=NN=C2C(F)(F)F)CN1C(=O)CC(CC3=CC(=C(C=C3F)F)F)N

Download SDF Download SVG Structure in 2D SDF:

FYI-1001351
FYIcenter.com

 28 30  0  0  0  0  0  0  0  0999 V2000
    9.6995    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4558    2.3674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.2788    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.4558    4.6326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8886    5.9642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5570    6.3968    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   14.3212    7.2956    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   15.2200    5.5316    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    0.7000    0.0000 N   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  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  7  3  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  8  1  0  0  0  0
 11  8  1  0  0  0  0
 12  4  1  0  0  0  0
 13 12  1  0  0  0  0
 13  1  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 16 14  1  0  0  0  0
 17 16  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
 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 24  1  0  0  0  0
 26 22  1  0  0  0  0
 27 21  1  0  0  0  0
 28 17  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001351-3D
FYIcenter.com

 43 45  0  0  1  0  0  0  0  0999 V2000
   -2.2308    1.0571    0.3419 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1487    2.1387    0.2547 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1681    1.5527    0.1093 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3801    0.2402   -0.2273 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6735    0.0091   -0.2247 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3134    1.1974    0.0330 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4015    2.1430    0.1881 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6440    3.5949    0.3808 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4861    4.3115    0.4255 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.2962    3.8603    1.5409 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.3788    4.1332   -0.6258 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7266   -0.7125   -0.5215 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9916    0.0193   -0.6691 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8027   -0.2675   -1.7551 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4377   -1.0345   -2.6496 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1699    0.3951   -1.8131 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1444   -0.3311   -2.7645 C   0  0  3  0  0  0  0  0  0  0  0  0
   -5.4066   -1.7804   -2.2834 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3353   -2.6170   -3.1318 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0238   -2.9333   -4.4619 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8348   -3.8182   -5.1726 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9523   -4.3913   -4.5743 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2914   -4.0709   -3.2680 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4844   -3.1852   -2.5609 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8148   -2.8910   -1.2957 F   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7044   -5.2702   -5.2503 F   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5176   -4.1283   -6.4369 F   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3979    0.4482   -2.8051 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2119    1.5224    0.2410 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2002    0.5630    1.3214 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1593    2.7522    1.1606 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3098    2.7717   -0.6243 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8487   -1.4051    0.3192 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4891   -1.3007   -1.4125 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0153    1.4284   -2.1496 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6123    0.4150   -0.8117 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7236   -0.3414   -3.7769 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7803   -1.7445   -1.2511 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4659   -2.3408   -2.2257 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1396   -2.5274   -4.9471 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1593   -4.5185   -2.7984 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8892    0.3612   -1.9142 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0263    0.0352   -3.4961 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 13  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  7  1  0  0  0  0
  4  5  2  0  0  0  0
  4 12  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
 12 13  1  0  0  0  0
 12 33  1  0  0  0  0
 12 34  1  0  0  0  0
 13 14  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 35  1  0  0  0  0
 16 36  1  0  0  0  0
 17 18  1  0  0  0  0
 17 28  1  0  0  0  0
 17 37  1  0  0  0  0
 18 19  1  0  0  0  0
 18 38  1  0  0  0  0
 18 39  1  0  0  0  0
 19 20  2  0  0  0  0
 19 24  1  0  0  0  0
 20 21  1  0  0  0  0
 20 40  1  0  0  0  0
 21 22  2  0  0  0  0
 21 27  1  0  0  0  0
 22 23  1  0  0  0  0
 22 26  1  0  0  0  0
 23 24  2  0  0  0  0
 23 41  1  0  0  0  0
 24 25  1  0  0  0  0
 28 42  1  0  0  0  0
 28 43  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-07-26, 2270👍, 0💬