Molecule Editor

Molecule ID: FYI-1016030 Edit

Molecule Structure InChIKey: RQEUFEKYXDPUSK-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(N)c1ccccc1

Download SDF Download SVG Structure in 2D SDF:

FYI-1016030
FYIcenter.com

  9  9  0  0  0  0  0  0  0  0999 V2000
    2.4250    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.7000    0.0000 C   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
    3.6374    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  6  1  1  0  0  0  0
  7  1  1  0  0  0  0
  8  7  1  0  0  0  0
  9  7  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016030-3D
FYIcenter.com

 20 20  0     1  0  0  0  0  0999 V2000
    2.4162   -0.9262    0.7551 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7574    0.2974    0.2622 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.2804    0.1369    0.1305 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4321    0.7057   -1.0601 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5619    1.2268    0.3510 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2587   -1.1028   -0.2134 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9431    1.0771    0.2277 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6401   -1.2525   -0.3367 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4822   -0.1625   -0.1162 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9650    1.0811    1.0022 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2941   -0.0581   -1.8343 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5078    0.8618   -0.9226 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0060    1.6414   -1.4394 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1549    2.1987    0.6172 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3697   -1.9672   -0.4092 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0841   -1.1329    1.6968 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4190   -0.7629    0.8394 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5989    1.9259    0.3985 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0603   -2.2164   -0.6086 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5577   -0.2788   -0.2135 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 16  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 10  1  0  0  0  0
  3  5  2  0  0  0  0
  3  6  1  0  0  0  0
  4 11  1  0  0  0  0
  4 12  1  0  0  0  0
  4 13  1  0  0  0  0
  5  7  1  0  0  0  0
  5 14  1  0  0  0  0
  6  8  2  0  0  0  0
  6 15  1  0  0  0  0
  7  9  2  0  0  0  0
  7 18  1  0  0  0  0
  8  9  1  0  0  0  0
  8 19  1  0  0  0  0
  9 20  1  0  0  0  0
M  END
$$$$