Molecule Editor

Molecule ID: FYI-1016684 Edit

Molecule Structure InChIKey: WCKQPPQRFNHPRJ-WUKNDPDISA-N

Molecule Structure SMILES String: CN(C)c2ccc(/N=N/c1ccc(C(=O)O)cc1)cc2

Download SDF Download SVG Structure in 2D SDF:

FYI-1016684
FYIcenter.com

 20 21  0  0  0  0  0  0  0  0999 V2000
   13.3368    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    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    3.5000    0.0000 C   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
    1.2124    1.4000    0.0000 N   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
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.2000    0.0000 C   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  2  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  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  1  0  0  0  0
 16 14  1  0  0  0  0
 17 13  1  0  0  0  0
 18 17  2  0  0  0  0
 18 10  1  0  0  0  0
 19  7  1  0  0  0  0
 20 19  2  0  0  0  0
 20  4  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016684-3D
FYIcenter.com

 35 36  0  0  0  0  0  0  0  0999 V2000
    1.2320   -0.2573   -0.3650 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5281    0.1790    0.1428 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1777    1.2837   -0.5573 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2913   -0.6400    0.9731 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8797   -1.9246    1.3609 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6674   -2.7435    2.1931 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9009   -2.3040    2.6855 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7099   -3.0405    3.5806 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6421   -4.2719    3.3878 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3720   -5.0289    4.3310 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6534   -4.6102    5.6439 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3001   -5.4605    6.5600 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6790   -6.7483    6.1672 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2876   -7.7351    7.1005 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1467   -8.9360    6.9594 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0341   -7.1980    8.0867 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4111   -7.1726    4.8618 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7651   -6.3194    3.9584 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3121   -1.0222    2.3288 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5245   -0.2128    1.4947 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7887    0.4890   -1.0348 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5216   -0.3949    0.4577 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3168   -1.1886   -0.9349 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5186    1.7440   -1.3012 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0714    0.9394   -1.0901 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4556    2.0766    0.1457 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9321   -2.3319    1.0203 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2960   -3.7296    2.4599 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3368   -3.6224    5.9740 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4416   -5.1090    7.5772 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2193   -6.2472    8.0016 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6803   -8.1792    4.5452 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5435   -6.6762    2.9544 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2539   -0.6335    2.7070 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9020    0.7826    1.2789 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 21  1  0  0  0  0
  1 22  1  0  0  0  0
  1 23  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3 24  1  0  0  0  0
  3 25  1  0  0  0  0
  3 26  1  0  0  0  0
  4  5  1  0  0  0  0
  4 20  2  0  0  0  0
  5  6  2  0  0  0  0
  5 27  1  0  0  0  0
  6  7  1  0  0  0  0
  6 28  1  0  0  0  0
  7  8  1  0  0  0  0
  7 19  2  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 18  2  0  0  0  0
 11 12  2  0  0  0  0
 11 29  1  0  0  0  0
 12 13  1  0  0  0  0
 12 30  1  0  0  0  0
 13 14  1  0  0  0  0
 13 17  2  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 31  1  0  0  0  0
 17 18  1  0  0  0  0
 17 32  1  0  0  0  0
 18 33  1  0  0  0  0
 19 20  1  0  0  0  0
 19 34  1  0  0  0  0
 20 35  1  0  0  0  0
M  END
$$$$