Molecule Editor

Molecule ID: FYI-1014146 Edit

Molecule Structure InChIKey: LPFCCMXERWAKPO-UHFFFAOYSA-N

Molecule Structure SMILES String: CN1CCC4C1CC(c3ccc2ccccc2c3)C4c5ccc(Cl)c(Cl)c5

Download SDF Download SVG Structure in 2D SDF:

FYI-1014146
FYIcenter.com

 27 31  0  0  0  0  0  0  0  0999 V2000
    7.7242   10.7596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5118   10.0596    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2329   10.6289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2960    9.5886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9960    8.3762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3655    8.6673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0655    7.4549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1286    6.4144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.9838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.2838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    6.9838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.2838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.8838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1838    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    4.1838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    2.7838    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.8838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4198    5.0450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3794    4.1082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6704    2.7388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0020    2.3062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2930    0.9367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2525    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9211    0.4326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6301    1.8021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0423    3.2430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7512    4.6123    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  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
  9  5  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
 15 13  1  0  0  0  0
 16 15  1  0  0  0  0
 17 15  2  0  0  0  0
 17 10  1  0  0  0  0
 18  8  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
 24 23  1  0  0  0  0
 25 24  2  0  0  0  0
 25 20  1  0  0  0  0
 26 21  1  0  0  0  0
 27 26  2  0  0  0  0
 27 18  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014146-3D
FYIcenter.com

 50 54  0  0  1  0  0  0  0  0999 V2000
    0.8352   -0.0184    0.0230 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2990   -0.0481    0.0390 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8531    1.0614    0.8221 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9734    2.2323   -0.1412 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0783    1.6134   -1.5419 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.8415    0.1162   -1.3161 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.1991   -0.5808   -1.4684 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2623    0.5146   -1.6632 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.5251    0.1216   -2.4194 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5542    1.0594   -2.5932 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7556    0.7078   -3.2210 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9642   -0.5936   -3.6996 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1756   -0.9842   -4.2941 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3518   -2.2846   -4.7742 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3168   -3.2087   -4.6766 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1133   -2.8385   -4.0777 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9290   -1.5412   -3.5697 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7367   -1.1736   -2.9220 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4694    1.7393   -2.1977 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.4118    1.8604   -3.7169 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8601    0.8697   -4.5393 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9468    0.9641   -5.9312 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5741    2.0584   -6.5278 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6907    2.0795   -8.2508 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.0896    3.0787   -5.7264 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8675    4.4738   -6.3864 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.0010    2.9805   -4.3326 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4390   -0.1280    1.0381 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4489   -0.8666   -0.5543 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4300    0.9022   -0.4109 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8486    0.7755    1.1827 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2587    1.3069    1.7094 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8155    2.8819    0.1158 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0630    2.8425   -0.0870 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2920    2.0528   -2.1684 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1608   -0.2980   -2.0705 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1189   -1.2545   -2.3262 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4569   -1.2154   -0.6109 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.4385    2.0785   -2.2316 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5338    1.4604   -3.3294 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9989   -0.2780   -4.3784 H   0  0  0  0  0  0  0  0  0  0  0  0
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    9.4461   -4.2178   -5.0588 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3149   -3.5749   -4.0032 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9792   -1.9431   -2.8046 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9537    2.6521   -1.8247 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3841   -0.0109   -4.1200 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5404    0.1631   -6.5445 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4278    3.7745   -3.7221 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  6  1  0  0  0  0
  3  4  1  0  0  0  0
  3 31  1  0  0  0  0
  3 32  1  0  0  0  0
  4  5  1  0  0  0  0
  4 33  1  0  0  0  0
  4 34  1  0  0  0  0
  5  6  1  0  0  0  0
  5 19  1  0  0  0  0
  5 35  1  0  0  0  0
  6  7  1  0  0  0  0
  6 36  1  0  0  0  0
  7  8  1  0  0  0  0
  7 37  1  0  0  0  0
  7 38  1  0  0  0  0
  8  9  1  0  0  0  0
  8 19  1  0  0  0  0
  8 39  1  0  0  0  0
  9 10  1  0  0  0  0
  9 18  2  0  0  0  0
 10 11  2  0  0  0  0
 10 40  1  0  0  0  0
 11 12  1  0  0  0  0
 11 41  1  0  0  0  0
 12 13  1  0  0  0  0
 12 17  2  0  0  0  0
 13 14  2  0  0  0  0
 13 42  1  0  0  0  0
 14 15  1  0  0  0  0
 14 43  1  0  0  0  0
 15 16  2  0  0  0  0
 15 44  1  0  0  0  0
 16 17  1  0  0  0  0
 16 45  1  0  0  0  0
 17 18  1  0  0  0  0
 18 46  1  0  0  0  0
 19 20  1  0  0  0  0
 19 47  1  0  0  0  0
 20 21  1  0  0  0  0
 20 27  2  0  0  0  0
 21 22  2  0  0  0  0
 21 48  1  0  0  0  0
 22 23  1  0  0  0  0
 22 49  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  2  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
 27 50  1  0  0  0  0
M  END
$$$$