Molecule Editor

Molecule ID: FYI-1008949 Edit

Molecule Structure InChIKey: DTSZOINNCAKTPF-UHFFFAOYSA-N

Molecule Structure SMILES String: C#CCNc1ncccc1C(=O)OC

Download SDF Download SVG Structure in 2D SDF:

FYI-1008949
FYIcenter.com

 14 14  0  0  0  0  0  0  0  0999 V2000
    6.0622    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.0000    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  2  0  0  0  0
  5  3  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 10  5  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  3  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1008949-3D
FYIcenter.com

 24 24  0     0  0  0  0  0  0999 V2000
   -2.3085   -1.7655    0.3766 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2977   -2.0258   -0.7133 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3415    0.0522   -0.0120 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2652    2.1629    0.0725 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0607    0.1488   -0.1019 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1490    0.8187   -0.0142 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2263    0.9071   -0.1007 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1475    2.2926   -0.0131 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6364    0.6440    0.0745 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1540   -1.3019   -0.1908 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8892    2.8666    0.0708 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6762   -0.3878    0.0927 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5160   -3.1818    0.3518 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5316   -1.2302    0.1073 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2092    0.4507   -0.1800 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2452   -0.9146    0.2823 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0423    2.9044   -0.0136 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8058    1.3100   -0.7797 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7182    1.2491    0.9852 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7734    3.9432    0.1403 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4711   -3.3946    0.8390 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7184   -3.6894    0.9022 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5600   -3.5382   -0.6816 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2902   -1.9775    0.1202 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1 13  1  0  0  0  0
  2 10  2  0  0  0  0
  3  6  1  0  0  0  0
  3  9  1  0  0  0  0
  3 16  1  0  0  0  0
  4  6  1  0  0  0  0
  4 11  2  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  5 10  1  0  0  0  0
  7  8  2  0  0  0  0
  7 15  1  0  0  0  0
  8 11  1  0  0  0  0
  8 17  1  0  0  0  0
  9 12  1  0  0  0  0
  9 18  1  0  0  0  0
  9 19  1  0  0  0  0
 11 20  1  0  0  0  0
 12 14  3  0  0  0  0
 13 21  1  0  0  0  0
 13 22  1  0  0  0  0
 13 23  1  0  0  0  0
 14 24  1  0  0  0  0
M  END
$$$$