Molecule FYI-1000452

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A

Molecule Summary:

ID: FYI-1000452
SMILES: O=C(N(C1=CC=C(F)C=C1)C2CCN(CCC3=CC=CC=C3)CC2)C(C)C

Received at FYIcenter.com on: 2021-07-06

Molecule ID: FYI-1000452 Edit

Molecule Structure SMILES String: O=C(N(C1=CC=C(F)C=C1)C2CCN(CCC3=CC=CC=C3)CC2)C(C)C

Download SDF Download SVG Structure in 2D SDF:

FYI-1000452
FYIcenter.com

 27 29  0  0  0  0  0  0  0  0999 V2000
    2.4250    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    7.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   11.2001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   12.6001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498   13.3001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374   12.6001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374   11.2001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    4.9000    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
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  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
  8  7  1  0  0  0  0
  9  7  1  0  0  0  0
 10  9  2  0  0  0  0
 10  4  1  0  0  0  0
 11  3  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  2  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
 22 17  1  0  0  0  0
 23 14  1  0  0  0  0
 24 23  1  0  0  0  0
 24 11  1  0  0  0  0
 25  2  1  0  0  0  0
 26 25  1  0  0  0  0
 27 25  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1000452-3D
FYIcenter.com

 56 58  0  0  0  0  0  0  0  0999 V2000
    4.9428   -0.6767   -0.2996 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3351   -1.2941    0.5895 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9897   -0.9803    0.9014 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4057    0.0944    0.1120 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4967    0.0550   -1.2942 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8964    1.0335   -2.0934 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1775    2.0521   -1.4916 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5713    2.9751   -2.2535 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.0755    2.1271   -0.1099 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7169    1.1694    0.6906 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1347   -1.6237    1.9817 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1319   -3.1627    1.9295 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5628   -3.6249    0.6002 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1490   -3.2521    0.4764 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3633   -3.5968   -0.8660 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2999   -5.1040   -1.1411 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8600   -5.4600   -2.4876 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0360   -5.4627   -3.6203 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5471   -5.8183   -4.8619 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8965   -6.1647   -4.9856 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7282   -6.1480   -3.8670 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2163   -5.7925   -2.6190 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0970   -1.8251    0.7417 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6108   -1.3179    2.0023 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1104   -2.4421    1.2722 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5378   -2.5259    0.6932 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2501   -2.3642    2.7879 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0259   -0.7546   -1.7909 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9844    0.9947   -3.1737 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5044    2.9348    0.3386 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6745    1.2917    1.7684 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5498   -1.2809    2.9347 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5213   -3.5672    2.7501 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0961   -3.6275    2.0967 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6712   -4.7139    0.5820 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1555   -3.2285   -0.2334 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1940   -3.0499   -1.6411 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4079   -3.2691   -0.9448 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8414   -5.6513   -0.3543 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7314   -5.4747   -1.1097 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0190   -5.1973   -3.5358 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0983   -5.8320   -5.7365 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2926   -6.4518   -5.9520 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7731   -6.4141   -3.9642 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8689   -5.7895   -1.7548 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1747   -1.6703    0.8760 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1886   -1.2203   -0.1223 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1658   -1.8268    2.8717 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3781   -0.2693    2.1853 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6390   -3.3877    0.9635 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0440   -1.5549    0.7510 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5144   -2.8288   -0.3597 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1501   -3.2558    1.2337 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8536   -1.5056    3.0844 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7416   -3.2730    3.1624 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3058   -2.2945    3.3237 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2 25  1  0  0  0  0
  3  4  1  0  0  0  0
  3 11  1  0  0  0  0
  4  5  2  0  0  0  0
  4 10  1  0  0  0  0
  5  6  1  0  0  0  0
  5 28  1  0  0  0  0
  6  7  2  0  0  0  0
  6 29  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 30  1  0  0  0  0
 10 31  1  0  0  0  0
 11 12  1  0  0  0  0
 11 24  1  0  0  0  0
 11 32  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
 13 35  1  0  0  0  0
 13 36  1  0  0  0  0
 14 15  1  0  0  0  0
 14 23  1  0  0  0  0
 15 16  1  0  0  0  0
 15 37  1  0  0  0  0
 15 38  1  0  0  0  0
 16 17  1  0  0  0  0
 16 39  1  0  0  0  0
 16 40  1  0  0  0  0
 17 18  2  0  0  0  0
 17 22  1  0  0  0  0
 18 19  1  0  0  0  0
 18 41  1  0  0  0  0
 19 20  2  0  0  0  0
 19 42  1  0  0  0  0
 20 21  1  0  0  0  0
 20 43  1  0  0  0  0
 21 22  2  0  0  0  0
 21 44  1  0  0  0  0
 22 45  1  0  0  0  0
 23 24  1  0  0  0  0
 23 46  1  0  0  0  0
 23 47  1  0  0  0  0
 24 48  1  0  0  0  0
 24 49  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
 25 50  1  0  0  0  0
 26 51  1  0  0  0  0
 26 52  1  0  0  0  0
 26 53  1  0  0  0  0
 27 54  1  0  0  0  0
 27 55  1  0  0  0  0
 27 56  1  0  0  0  0
M  END
$$$$

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2022-11-16, 2696👍, 0💬