Molecule Editor

Molecule ID: FYI-1001036 Edit

Molecule Structure SMILES String: c1ccc2c(c1)CCc3ccccc3C2=CCCN(I)I

Download SDF Download SVG Structure in 2D SDF:

FYI-1001036
FYIcenter.com

 21 23  0  0  0  0  0  0  0  0999 V2000
    5.3345    7.2317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3082    6.2794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6197    4.9145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9575    4.5018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9837    5.4541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6722    6.8190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3682    5.2454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0682    4.0330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5566    2.7297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5830    1.7776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2715    0.4126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9336    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9073    0.9523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2189    2.3171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    3.1057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.4058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.1057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.4058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.1057    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.5057    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4058    0.0000 I   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  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  6  1  1  0  0  0  0
  7  5  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 10  1  0  0  0  0
 12 11  2  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 14  9  1  0  0  0  0
 15 14  1  0  0  0  0
 15  4  1  0  0  0  0
 16 15  2  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 21 19  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001036-3D
FYIcenter.com

 38 40  0  0  0  0  0  0  0  0999 V2000
   -3.6939    0.0440    0.7227 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3170   -1.2977    0.6646 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1037   -1.6571    0.0753 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2594   -0.6765   -0.4578 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6483    0.6741   -0.4163 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8689    1.0261    0.1798 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7238    1.7300   -0.9671 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5076    1.9187   -0.0796 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5290    0.8002    0.0266 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7640    1.1563    0.6182 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7690    0.2149    0.8333 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5482   -1.1108    0.5059 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3298   -1.4909   -0.0563 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3261   -0.5444   -0.3470 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0742   -1.0215   -1.0024 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1016   -1.7007   -2.1749 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3259   -2.0770   -2.9770 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1339   -2.0841   -4.5085 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6885   -0.8130   -5.1047 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9609    0.7213   -4.8777 I   0  0  0  0  0  0  0  0  0  0  0  0
    0.2959   -0.9951   -7.0678 I   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6289    0.3239    1.1975 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9589   -2.0613    1.0947 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8059   -2.7043    0.0584 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1687    2.0683    0.2411 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2622    2.6852   -1.0288 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4391    1.4855   -1.9980 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1736    2.1504    0.9402 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0299    2.8086   -0.4525 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9404    2.1867    0.9188 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7126    0.5216    1.2762 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3180   -1.8569    0.6885 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1687   -2.5429   -0.2808 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8452   -1.9959   -2.6253 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6206   -3.0913   -2.6787 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1734   -1.4285   -2.7373 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3827   -2.8589   -4.7214 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0701   -2.4343   -4.9678 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  2  0  0  0  0
  1 22  1  0  0  0  0
  2  3  2  0  0  0  0
  2 23  1  0  0  0  0
  3  4  1  0  0  0  0
  3 24  1  0  0  0  0
  4  5  2  0  0  0  0
  4 15  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6 25  1  0  0  0  0
  7  8  1  0  0  0  0
  7 26  1  0  0  0  0
  7 27  1  0  0  0  0
  8  9  1  0  0  0  0
  8 28  1  0  0  0  0
  8 29  1  0  0  0  0
  9 10  1  0  0  0  0
  9 14  2  0  0  0  0
 10 11  2  0  0  0  0
 10 30  1  0  0  0  0
 11 12  1  0  0  0  0
 11 31  1  0  0  0  0
 12 13  2  0  0  0  0
 12 32  1  0  0  0  0
 13 14  1  0  0  0  0
 13 33  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 16 34  1  0  0  0  0
 17 18  1  0  0  0  0
 17 35  1  0  0  0  0
 17 36  1  0  0  0  0
 18 19  1  0  0  0  0
 18 37  1  0  0  0  0
 18 38  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
M  END
$$$$