Molecule Editor

Molecule ID: FYI-1015927 Edit

Molecule Structure InChIKey: LYZQMQSMYIQTOL-UHFFFAOYSA-N

Molecule Structure SMILES String: CCNC(=O)CCCCCCCCC(N)=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1015927
FYIcenter.com

 16 15  0  0  0  0  0  0  0  0999 V2000
   15.7616    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 O   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  2  0  0  0  0
  6  4  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
 15 14  1  0  0  0  0
 16 14  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015927-3D
FYIcenter.com

 40 39  0     0  0  0  0  0  0999 V2000
   -4.7378    1.3167    0.3384 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8788   -1.3237   -0.0177 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7529   -0.7679    0.1882 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8751    0.7475   -0.0229 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3771    0.4281    0.0773 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6848   -0.3559   -0.0541 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8355   -0.5036    0.0139 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9319    0.5332   -0.0276 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1449    0.2799    0.1126 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2432   -0.2580   -0.0838 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3540   -0.6523    0.0827 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4706    0.6532   -0.0638 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6681    0.0966    0.2177 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7878   -0.0998   -0.0404 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1205   -0.3158    0.2993 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6358    0.2217   -1.0198 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3724    0.9785    1.0257 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3145    1.1697   -0.7282 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6753   -0.9274   -0.9904 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7483   -1.0865    0.7620 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8178   -1.0689   -0.9258 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7793   -1.2327    0.8314 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9196    1.1406    0.8859 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8929    1.2312   -0.8730 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1541    0.8652    1.0406 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2111    0.9979   -0.7143 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2619   -0.8760   -0.9900 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2858   -0.9495    0.7670 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3721   -1.2115   -0.8604 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2889   -1.3765    0.9037 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4634    1.3023   -0.9477 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4373    1.2980    0.8230 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5907   -1.7645    0.0762 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1742    0.4614    1.0689 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7237   -1.1686    0.6255 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0504    1.0840   -1.3552 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5796   -0.5424   -1.8023 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6794    0.5359   -0.9220 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7763    1.7577   -0.0353 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8212    0.3818    0.0004 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  2  0  0  0  0
  2 14  2  0  0  0  0
  3 13  1  0  0  0  0
  3 15  1  0  0  0  0
  3 33  1  0  0  0  0
  4 14  1  0  0  0  0
  4 39  1  0  0  0  0
  4 40  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 17  1  0  0  0  0
  5 18  1  0  0  0  0
  6  8  1  0  0  0  0
  6 19  1  0  0  0  0
  6 20  1  0  0  0  0
  7  9  1  0  0  0  0
  7 21  1  0  0  0  0
  7 22  1  0  0  0  0
  8 10  1  0  0  0  0
  8 23  1  0  0  0  0
  8 24  1  0  0  0  0
  9 11  1  0  0  0  0
  9 25  1  0  0  0  0
  9 26  1  0  0  0  0
 10 12  1  0  0  0  0
 10 27  1  0  0  0  0
 10 28  1  0  0  0  0
 11 13  1  0  0  0  0
 11 29  1  0  0  0  0
 11 30  1  0  0  0  0
 12 14  1  0  0  0  0
 12 31  1  0  0  0  0
 12 32  1  0  0  0  0
 15 16  1  0  0  0  0
 15 34  1  0  0  0  0
 15 35  1  0  0  0  0
 16 36  1  0  0  0  0
 16 37  1  0  0  0  0
 16 38  1  0  0  0  0
M  END
$$$$