Molecule Editor

Molecule ID: FYI-1002205 Edit

Molecule Structure InChIKey: SXWZQUCTTOBHJT-UHFFFAOYSA-N

Molecule Structure SMILES String: CNC2Cc1ccccc1C2

Download SDF Download SVG Structure in 2D SDF:

FYI-1002205
FYIcenter.com

 11 12  0  0  0  0  0  0  0  0999 V2000
    6.6827    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9827    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5827    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7613    0.2707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4267    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4267    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2133    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
    1.2133    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7613    2.5293    0.0000 C   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  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  3 11  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002205-3D
FYIcenter.com

 24 25  0     0  0  0  0  0  0999 V2000
    3.0132    0.4382   -0.2312 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6700    0.2858    0.3070 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7246    1.4338   -0.1035 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9938   -1.0192   -0.1609 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6047    0.7488   -0.0216 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4518   -0.6429   -0.0542 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8609    1.3285    0.0311 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5523   -1.4829   -0.0344 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9760    0.4884    0.0640 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8228   -0.9069    0.0316 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8669   -0.6717    0.1721 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7181    0.2775    1.4073 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9031    1.7699   -1.1312 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8030    2.2819    0.5836 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2442   -1.8634    0.4890 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2283   -1.2635   -1.2034 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4135    1.3135    0.1053 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9821    2.4063    0.0447 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4370   -2.5608   -0.0711 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9733    0.9177    0.1091 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7031   -1.5437    0.0518 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8931   -0.7914    1.2603 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8906   -0.4725   -0.1615 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5649   -1.6160   -0.2908 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 11  1  0  0  0  0
  1 17  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2 12  1  0  0  0  0
  3  5  1  0  0  0  0
  3 13  1  0  0  0  0
  3 14  1  0  0  0  0
  4  6  1  0  0  0  0
  4 15  1  0  0  0  0
  4 16  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  2  0  0  0  0
  6  8  2  0  0  0  0
  7  9  1  0  0  0  0
  7 18  1  0  0  0  0
  8 10  1  0  0  0  0
  8 19  1  0  0  0  0
  9 10  2  0  0  0  0
  9 20  1  0  0  0  0
 10 21  1  0  0  0  0
 11 22  1  0  0  0  0
 11 23  1  0  0  0  0
 11 24  1  0  0  0  0
M  END
$$$$