Molecule Editor

Molecule ID: FYI-1006476 Edit

Molecule Structure InChIKey: KFDIAZLMCCARQV-UHFFFAOYSA-N

Molecule Structure SMILES String: NCCc2ccc1CC(N)Cc1c2

Download SDF Download SVG Structure in 2D SDF:

FYI-1006476
FYIcenter.com

 13 14  0  0  0  0  0  0  0  0999 V2000
    2.4252    4.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4252    5.5999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2127    6.2999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.5999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2127    3.4999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4655    6.5367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8961    7.8157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5038    7.6693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5961    9.0281    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2126    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  3  9  1  0  0  0  0
  2  7  1  0  0  0  0
  8 10  1  0  0  0  0
  6 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006476-3D
FYIcenter.com

 29 30  0  0  1  0  0  0  0  0999 V2000
    0.9324   -0.7336    2.7969 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3944   -0.6862    2.8218 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9705   -0.6630    1.4025 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4794   -0.5865    1.4085 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2609   -1.7589    1.4196 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6578   -1.6893    1.4267 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2629   -0.4418    1.4261 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7273   -0.1423    1.4296 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7856    1.4073    1.4200 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.5596    1.9367    2.5526 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3363    1.9508    1.4081 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4966    0.7190    1.4190 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1120    0.6639    1.4182 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5833   -0.7767    3.7538 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6256   -1.5936    2.3438 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7723   -1.5551    3.3730 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7069    0.2084    3.3722 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5705    0.1949    0.8473 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6550   -1.5550    0.8461 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7805   -2.7330    1.4171 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2529   -2.5981    1.4309 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2079   -0.5475    0.5317 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2074   -0.5744    2.3139 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2985    1.7368    0.5078 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1117    1.6446    3.4228 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5087    2.9553    2.5469 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1537    2.5364    0.5005 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1125    2.5720    2.2825 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5273    1.5810    1.4194 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 14  1  0  0  0  0
  1 15  1  0  0  0  0
  2  3  1  0  0  0  0
  2 16  1  0  0  0  0
  2 17  1  0  0  0  0
  3  4  1  0  0  0  0
  3 18  1  0  0  0  0
  3 19  1  0  0  0  0
  4  5  1  0  0  0  0
  4 13  2  0  0  0  0
  5  6  2  0  0  0  0
  5 20  1  0  0  0  0
  6  7  1  0  0  0  0
  6 21  1  0  0  0  0
  7  8  1  0  0  0  0
  7 12  2  0  0  0  0
  8  9  1  0  0  0  0
  8 22  1  0  0  0  0
  8 23  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 24  1  0  0  0  0
 10 25  1  0  0  0  0
 10 26  1  0  0  0  0
 11 12  1  0  0  0  0
 11 27  1  0  0  0  0
 11 28  1  0  0  0  0
 12 13  1  0  0  0  0
 13 29  1  0  0  0  0
M  END
$$$$