Molecule Editor

Molecule ID: FYI-1001940 Edit

Molecule Structure SMILES String: CCN(CC)CCNC(=O)C1=C(NC(=C1C)C=C2C3=C(C=CC(=C3)F)NC2=O)C

Download SDF Download SVG Structure in 2D SDF:

FYI-1001940
FYIcenter.com

 29 31  0  0  0  0  0  0  0  0999 V2000
   15.3128    6.3001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.8879    7.7001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6755    8.4001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6755    5.6001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4631    6.3001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2507    5.6001    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0382    6.3001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0382    7.7001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8258    5.6001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.7198    3.2709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7407    2.6377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3484    2.4914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4115    3.5318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1326    2.9624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.7853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1463    5.1776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4252    5.7470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5579    4.9242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5716    7.1394    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.2789    1.5701    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6484    1.2790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2177    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2557    7.5390    0.0000 C   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  3  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11  9  1  0  0  0  0
 12 11  2  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 15 11  1  0  0  0  0
 16 15  1  0  0  0  0
 17 14  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
 23 22  1  0  0  0  0
 24 23  2  0  0  0  0
 24 19  1  0  0  0  0
 25 23  1  0  0  0  0
 26 20  1  0  0  0  0
 27 26  1  0  0  0  0
 27 18  1  0  0  0  0
 28 27  2  0  0  0  0
 29 12  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001940-3D
FYIcenter.com

 56 58  0  0  0  0  0  0  0  0999 V2000
    9.6765   -0.9902   -2.7796 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2199   -0.6312   -1.3681 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8350   -1.4348   -0.2988 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.3100   -1.4431   -0.3307 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0043   -0.1122   -0.0462 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3395   -1.0409    1.0441 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8234   -1.2127    1.2588 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3811   -2.5784    1.0713 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2532   -3.4491    2.1270 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5169   -3.1289    3.2828 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7991   -4.7989    1.7729 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8998   -5.1641    0.7792 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6818   -6.5106    0.9028 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4745   -7.0750    1.8614 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1868   -6.0267    2.4395 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2033   -6.1077    3.5312 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4629   -8.4821    2.0915 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7369   -9.4333    1.4708 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8628  -10.8739    1.7774 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9630  -11.5399    0.9346 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8111  -12.9135    0.9286 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6064  -13.6427    1.8122 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.6525  -11.5954    2.6527 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2669  -13.7118    3.4905 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.2881  -10.6382    0.1287 N   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2652   -8.3520   -0.1923 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1324   -4.4437   -0.2696 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6775   -2.0739   -2.9369 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.3011   -4.9247   -1.2411 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  1 31  1  0  0  0  0
  1 32  1  0  0  0  0
  2  3  1  0  0  0  0
  2 33  1  0  0  0  0
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  3  4  1  0  0  0  0
  3  6  1  0  0  0  0
  4  5  1  0  0  0  0
  4 35  1  0  0  0  0
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  6  7  1  0  0  0  0
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  7  8  1  0  0  0  0
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 29 56  1  0  0  0  0
M  END
$$$$