Molecule Editor

Molecule ID: FYI-1004217 Edit

Molecule Structure InChIKey: UUQMNUMQCIQDMZ-UHFFFAOYSA-N

Molecule Structure SMILES String: CNCCc1ccccn1

Download SDF Download SVG Structure in 2D SDF:

FYI-1004217
FYIcenter.com

 10 10  0  0  0  0  0  0  0  0999 V2000
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    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
    2.4249    0.7000    0.0000 N   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  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
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004217-3D
FYIcenter.com

 22 22  0     0  0  0  0  0  0999 V2000
    3.3152    0.0165    0.2841 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0423   -1.1976    0.2219 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9227    0.0275    0.9287 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9452    0.0318   -0.2176 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4814    0.0158    0.4235 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1293    1.2182    0.1903 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2692   -0.0251   -0.8147 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4369    1.1724   -0.2803 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3144   -1.2025   -0.2359 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0481   -0.0571   -0.5000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0811    0.8952    1.5822 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0798   -0.8579    1.5588 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7889    0.9246   -0.8364 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7703   -0.8426   -0.8579 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4512   -0.7993    0.8804 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6436    2.1727    0.3629 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1476   -0.9294   -1.4199 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2873   -0.0244   -0.4131 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1702    0.8540   -1.4599 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9785    2.0929   -0.4759 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7454   -2.1861   -0.3908 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0663   -0.1169   -0.8665 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1  7  1  0  0  0  0
  1 15  1  0  0  0  0
  2  5  1  0  0  0  0
  2  9  2  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3 11  1  0  0  0  0
  3 12  1  0  0  0  0
  4 13  1  0  0  0  0
  4 14  1  0  0  0  0
  5  6  2  0  0  0  0
  6  8  1  0  0  0  0
  6 16  1  0  0  0  0
  7 17  1  0  0  0  0
  7 18  1  0  0  0  0
  7 19  1  0  0  0  0
  8 10  2  0  0  0  0
  8 20  1  0  0  0  0
  9 10  1  0  0  0  0
  9 21  1  0  0  0  0
 10 22  1  0  0  0  0
M  END
$$$$