Molecule Editor

Molecule ID: FYI-1015698 Edit

Molecule Structure InChIKey: SRBPWTGTSXGOQW-UHFFFAOYSA-N

Molecule Structure SMILES String: Clc3ccc(c2ccc1nccnc1c2)cn3

Download SDF Download SVG Structure in 2D SDF:

FYI-1015698
FYIcenter.com

 17 19  0  0  0  0  0  0  0  0999 V2000
    8.4870    7.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    7.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    4.9000    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
    1.2124    2.8000    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
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    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  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  5  2  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  7  4  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 16 11  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 17  8  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015698-3D
FYIcenter.com

 25 27  0  0  0  0  0  0  0  0999 V2000
   -2.0598    0.4000   -0.0289 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.3583    0.1951   -0.0371 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2210   -0.9174   -0.6151 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6116   -1.0199   -0.5869 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3926   -0.0132    0.0032 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8677   -0.0818    0.0387 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6062    0.4798    1.0902 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0019    0.4121    1.1072 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7036   -0.2223    0.0957 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0479   -0.2754    0.1512 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6622   -0.9161   -0.8656 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9627   -1.4890   -1.9076 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6154   -1.4415   -1.9799 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9844   -0.8036   -0.9734 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5983   -0.7151   -0.9841 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6803    1.0600    0.5509 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3315    1.1887    0.5509 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3830   -1.6896   -1.0766 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0725   -1.9023   -1.0252 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1122    0.9729    1.9250 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5522    0.8597    1.9315 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7449   -0.9569   -0.8172 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4661   -2.0052   -2.7155 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0853   -1.1558   -1.8375 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1917    1.8980    1.0201 H   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
  2 17  2  0  0  0  0
  3  4  2  0  0  0  0
  3 18  1  0  0  0  0
  4  5  1  0  0  0  0
  4 19  1  0  0  0  0
  5  6  1  0  0  0  0
  5 16  2  0  0  0  0
  6  7  1  0  0  0  0
  6 15  2  0  0  0  0
  7  8  2  0  0  0  0
  7 20  1  0  0  0  0
  8  9  1  0  0  0  0
  8 21  1  0  0  0  0
  9 10  1  0  0  0  0
  9 14  2  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 22  1  0  0  0  0
 12 13  2  0  0  0  0
 12 23  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 24  1  0  0  0  0
 16 17  1  0  0  0  0
 16 25  1  0  0  0  0
M  END
$$$$