Molecule Editor

Molecule ID: FYI-1005184 Edit

Molecule Structure InChIKey: JHOTYHDSLIUKCJ-UHFFFAOYSA-N

Molecule Structure SMILES String: COc4ccc(C(=O)c2c(C)n(CCN1CCOCC1)c3cc(I)ccc23)cc4

Download SDF Download SVG Structure in 2D SDF:

FYI-1005184
FYIcenter.com

 29 32  0  0  0  0  0  0  0  0999 V2000
    7.6322    0.8612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3411    2.2306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2779    3.2710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5779    4.4835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2085    4.1923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    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
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.8000    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
    0.0000    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.7043    6.5642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0738    6.8553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0106    5.8149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7676    7.6046    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    9.6703    3.1246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2397    1.8457    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4932    4.2572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8855    4.1110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7084    5.2436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1389    6.5225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7467    6.6689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9238    5.5363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9619    7.6551    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3924    8.9341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  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
  6  2  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  1  0  0  0  0
 11 10  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
 14  9  1  0  0  0  0
 15  5  1  0  0  0  0
 16 15  2  0  0  0  0
 17 16  1  0  0  0  0
 18 17  2  0  0  0  0
 18  4  1  0  0  0  0
 19 16  1  0  0  0  0
 20  3  1  0  0  0  0
 21 20  2  0  0  0  0
 22 20  1  0  0  0  0
 23 22  2  0  0  0  0
 24 23  1  0  0  0  0
 25 24  2  0  0  0  0
 26 25  1  0  0  0  0
 27 26  2  0  0  0  0
 27 22  1  0  0  0  0
 28 25  1  0  0  0  0
 29 28  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005184-3D
FYIcenter.com

 54 57  0     0  0  0  0  0  0999 V2000
    2.4393   -4.9715   -2.0811 I   0  0  0  0  0  0  0  0  0  0  0  0
    6.7909    2.2505   -0.7371 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8788   -1.0448    2.5107 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8439    2.3217   -1.8325 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1355    1.6745    0.1105 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1760   -0.4844    0.9135 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8136    1.0816   -0.0821 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5012    0.1124    1.0543 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1787    0.6398    0.0947 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4106    2.6828   -0.9226 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9173   -1.6482    0.2387 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0328    0.0401    1.4374 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4573   -1.8739    0.3392 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0022   -0.8005    1.0980 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5490    1.2836    0.2857 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7995    3.2780   -0.7088 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0259    1.2977    2.2163 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7766   -2.5142   -0.4469 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0031   -3.0192   -0.2736 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3750   -0.5935    1.4669 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2126   -3.6437   -1.0469 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1556   -3.8943   -0.9628 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$