Molecule Editor

Molecule ID: FYI-1015928 Edit

Molecule Structure InChIKey: AGOFQYRKISFICW-UHFFFAOYSA-N

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

Download SDF Download SVG Structure in 2D SDF:

FYI-1015928
FYIcenter.com

 17 16  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
   16.8611    1.2332    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  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
  1 17  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015928-3D
FYIcenter.com

 43 42  0  0  0  0  0  0  0  0999 V2000
    2.9547   -6.5936    4.9528 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4952   -5.5961    3.8996 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0538   -4.1942    4.1364 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4950   -4.1426    4.0227 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1067   -3.9784    2.7999 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4869   -3.8266    1.7541 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6163   -4.0188    2.8796 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2519   -3.8035    1.5063 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7784   -3.8329    1.5327 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3248   -5.1793    2.0038 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8478   -5.1958    1.9980 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3751   -6.5393    2.5004 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8994   -6.5411    2.5064 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4677   -7.8688    2.9993 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9814   -7.8493    2.9974 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5568   -9.0089    3.4262 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.6689   -6.9001    2.6499 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4928   -7.5699    4.7754 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6710   -6.2608    5.9562 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0407   -6.7273    4.9279 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4004   -5.5449    3.9165 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7854   -5.9609    2.9075 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7903   -3.8323    5.1351 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6207   -3.5049    3.4029 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0586   -4.3614    4.8354 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8907   -4.9972    3.2884 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9568   -3.2451    3.5777 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9274   -2.8350    1.1053 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8867   -4.5648    0.8052 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1519   -3.0282    2.1772 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1474   -3.6252    0.5203 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9406   -5.9783    1.3583 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9837   -5.3908    3.0224 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2247   -4.3898    2.6397 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2180   -5.0045    0.9838 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0017   -7.3473    1.8593 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9995   -6.7303    3.5132 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.2634   -5.7261    3.1456 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.2689   -6.3365    1.4935 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1299   -8.6853    2.3532 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1229   -8.0703    4.0203 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.0297   -9.8211    3.7121 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.5686   -9.0497    3.4380 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 18  1  0  0  0  0
  1 19  1  0  0  0  0
  1 20  1  0  0  0  0
  2  3  1  0  0  0  0
  2 21  1  0  0  0  0
  2 22  1  0  0  0  0
  3  4  1  0  0  0  0
  3 23  1  0  0  0  0
  3 24  1  0  0  0  0
  4  5  1  0  0  0  0
  4 25  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  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 30  1  0  0  0  0
  9 31  1  0  0  0  0
 10 11  1  0  0  0  0
 10 32  1  0  0  0  0
 10 33  1  0  0  0  0
 11 12  1  0  0  0  0
 11 34  1  0  0  0  0
 11 35  1  0  0  0  0
 12 13  1  0  0  0  0
 12 36  1  0  0  0  0
 12 37  1  0  0  0  0
 13 14  1  0  0  0  0
 13 38  1  0  0  0  0
 13 39  1  0  0  0  0
 14 15  1  0  0  0  0
 14 40  1  0  0  0  0
 14 41  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 42  1  0  0  0  0
 16 43  1  0  0  0  0
M  END
$$$$