Molecule Editor

Molecule ID: FYI-1016481 Edit

Molecule Structure InChIKey: QQIJBVWDIJIZBH-UHFFFAOYSA-N

Molecule Structure SMILES String: NCCCCCCNC(=O)CCCCC(N)=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1016481
FYIcenter.com

 17 16  0  0  0  0  0  0  0  0999 V2000
    1.2410    1.3950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4534    2.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6659    1.3950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8783    2.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0908    1.3950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3032    2.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5156    1.3950    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3598    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0429    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2926    3.4950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6516    2.2132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9131    1.6059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1785    2.2047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5099    1.7717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5977    2.6530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6644    1.7463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8386    2.5087    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  1  8  2  0  0  0  0
  1  9  1  0  0  0  0
  6 10  2  0  0  0  0
  7 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 17  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016481-3D
FYIcenter.com

 42 41  0     0  0  0  0  0  0999 V2000
   -0.4689    2.3765   -1.0310 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7463   -2.0501    1.0211 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8195    1.8097    0.8165 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7100   -3.2787    0.1206 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0090   -1.5084   -0.8214 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5358    0.5936    0.3557 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9914    1.8309   -0.3658 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5955   -0.1635   -0.4509 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9811    2.6007    0.4807 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1638   -1.3824    0.2804 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6442    0.7497   -0.2337 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3692    0.8341    0.6047 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6470   -0.2621    0.3355 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1943   -2.1101   -0.5830 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3178    1.7652    0.0233 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8878   -0.4056   -0.5446 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9012   -1.3995   -0.0081 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9702    0.8993    1.3157 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7134   -0.0948    0.5846 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5255    1.5224   -1.3096 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8225    2.4996   -0.6194 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1547   -0.4846   -1.4030 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4154    0.5225   -0.6974 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4374    2.9230    1.4226 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6569    3.4968   -0.0595 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6249   -1.0611    1.2226 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3436   -2.0644    0.5378 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3853    0.4640   -1.2610 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1122    1.7401   -0.2927 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9200   -0.1626    0.6952 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6144    1.1824    1.6152 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9446    0.0468    1.3452 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1613   -1.2406    0.4383 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8512    1.2598    1.6702 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7406   -2.4283   -1.5280 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0269   -1.4396   -0.8213 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3855    0.5668   -0.6424 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5931   -0.7315   -1.5495 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9465   -3.9233    0.3213 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3558   -3.7811   -0.4870 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7664   -2.1422   -0.5892 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1132   -0.9649   -1.6723 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  2  0  0  0  0
  2 17  2  0  0  0  0
  3  9  1  0  0  0  0
  3 15  1  0  0  0  0
  3 34  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 17  1  0  0  0  0
  5 41  1  0  0  0  0
  5 42  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 18  1  0  0  0  0
  6 19  1  0  0  0  0
  7  9  1  0  0  0  0
  7 20  1  0  0  0  0
  7 21  1  0  0  0  0
  8 10  1  0  0  0  0
  8 22  1  0  0  0  0
  8 23  1  0  0  0  0
  9 24  1  0  0  0  0
  9 25  1  0  0  0  0
 10 14  1  0  0  0  0
 10 26  1  0  0  0  0
 10 27  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 28  1  0  0  0  0
 11 29  1  0  0  0  0
 12 15  1  0  0  0  0
 12 30  1  0  0  0  0
 12 31  1  0  0  0  0
 13 16  1  0  0  0  0
 13 32  1  0  0  0  0
 13 33  1  0  0  0  0
 14 35  1  0  0  0  0
 14 36  1  0  0  0  0
 16 17  1  0  0  0  0
 16 37  1  0  0  0  0
 16 38  1  0  0  0  0
M  END
$$$$