Molecule Editor

Molecule ID: FYI-1015722 Edit

Molecule Structure InChIKey: HATWFXFRBVCQPT-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C(NC23CC1CC(CC(C1)C2)C3)C4=CC=ClC=C4O

Download SDF Download SVG Structure in 2D SDF:

FYI-1015722
FYIcenter.com

 20 23  0  0  0  0  0  0  0  0999 V2000
    2.3631    4.4503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3631    5.8146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1815    6.4968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.8146    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.4503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1815    3.7681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5446    3.7681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5446    6.4968    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5446    2.4038    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7262    4.4503    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7262    1.7216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7890    3.0845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9336    3.8271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5173    2.5277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6415    1.1690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4864    0.4431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0744    1.5127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4154    1.7647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3448    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3139    3.1252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  1  7  1  0  0  0  0
  2  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 11  1  0  0  0  0
 11 17  1  0  0  0  0
 17 18  1  0  0  0  0
 15 19  1  0  0  0  0
 19 18  1  0  0  0  0
 18 20  1  0  0  0  0
 20 13  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015722-3D
FYIcenter.com

 40 43  0  0  1  0  0  0  0  0999 V2000
    1.7871    4.6907    6.9725 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5606    3.7506    6.8514 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7032    2.8615    7.8849 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9914    2.9417    9.1662 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.4531    2.8073    8.9675 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2609    2.8763   10.3381 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.2236    1.7175   11.2352 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7464    1.8356   11.4501 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.0693    3.1783   12.1384 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5860    4.3411   11.2481 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.0612    4.2243   11.0228 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3113    4.2844    9.8882 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4637    1.7738   10.0853 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3754    3.6589    5.5799 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5034    4.8316    4.8619 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2918    4.9904    3.6218 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0228    3.7014    3.1474 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.8126    2.2535    4.0346 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0285    2.3382    5.1300 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7939    1.1978    5.8182 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3987    2.1141    7.8057 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2163    1.8412    8.4689 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0582    3.6202    8.3245 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3589    2.7894   10.1868 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0174    0.7420   10.7579 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3000    1.7518   12.2160 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0966    0.9983   12.0923 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1652    3.2634   12.3095 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5678    3.2268   13.1294 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8164    5.3081   11.7464 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2953    5.0662   10.3892 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4685    4.2884   11.9988 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4095    4.3786   10.0418 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9839    5.1580    9.2903 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2494    0.7957    9.5989 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5632    1.8358   10.2446 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0271    5.7418    5.2144 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3869    5.9385    3.1036 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2688    1.3228    3.7119 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1650    0.3392    5.5677 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 14  1  0  0  0  0
  3  4  1  0  0  0  0
  3 21  1  0  0  0  0
  4  5  1  0  0  0  0
  4 12  1  0  0  0  0
  4 13  1  0  0  0  0
  5  6  1  0  0  0  0
  5 22  1  0  0  0  0
  5 23  1  0  0  0  0
  6  7  1  0  0  0  0
  6 11  1  0  0  0  0
  6 24  1  0  0  0  0
  7  8  1  0  0  0  0
  7 25  1  0  0  0  0
  7 26  1  0  0  0  0
  8  9  1  0  0  0  0
  8 13  1  0  0  0  0
  8 27  1  0  0  0  0
  9 10  1  0  0  0  0
  9 28  1  0  0  0  0
  9 29  1  0  0  0  0
 10 11  1  0  0  0  0
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 10 30  1  0  0  0  0
 11 31  1  0  0  0  0
 11 32  1  0  0  0  0
 12 33  1  0  0  0  0
 12 34  1  0  0  0  0
 13 35  1  0  0  0  0
 13 36  1  0  0  0  0
 14 15  2  0  0  0  0
 14 19  1  0  0  0  0
 15 16  1  0  0  0  0
 15 37  1  0  0  0  0
 16 17  2  3  0  0  0
 16 38  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 39  1  0  0  0  0
 19 20  1  0  0  0  0
 20 40  1  0  0  0  0
M  END
$$$$