Molecule Editor

Molecule ID: FYI-1015688 Edit

Molecule Structure InChIKey: SZHHSFHOIDCNLD-JXAWBTAJSA-N

Molecule Structure SMILES String: ON=c3c1ccccc1c4nc2ccccc2nc34

Download SDF Download SVG Structure in 2D SDF:

FYI-1015688
FYIcenter.com

 19 22  0  0  0  0  0  0  0  0999 V2000
    6.4427    6.4271    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2301    7.1272    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0177    6.4271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7388    6.9965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3061    8.3281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9367    8.6191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.5788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4326    6.2472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8019    5.9562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5020    4.7438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0693    3.4122    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0061    2.3719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5735    1.0403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5104    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8797    0.2911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3123    1.6225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3756    2.6630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8082    3.9944    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8714    5.0348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  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
  9  4  1  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  1  0  0  0  0
 14 13  2  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 17 16  1  0  0  0  0
 17 12  2  0  0  0  0
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 19 10  1  0  0  0  0
 19  3  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015688-3D
FYIcenter.com

 28 31  0  0  0  0  0  0  0  0999 V2000
    1.1307   -0.0427    0.0377 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5234   -0.0415   -0.0513 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0693    0.2621    1.0841 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5418    0.3279    1.2638 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5509    0.1078    0.3452 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8654    0.2368    0.7988 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1365    0.5773    2.1389 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0984    0.7968    3.0522 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7964    0.6690    2.6017 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5375    0.8266    3.2790 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3656    1.1514    4.5706 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0687    1.2339    4.9492 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7708    1.5615    6.2647 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4510    1.6611    6.7094 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5948    1.4302    5.8242 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3178    1.0993    4.4973 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9863    0.9937    4.0356 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1916    0.6683    2.7429 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4863    0.5940    2.4035 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8560   -0.2947   -0.8618 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3276   -0.1541   -0.6834 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6919    0.0722    0.1102 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1698    0.6708    2.4683 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3089    1.0593    4.0849 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5859    1.7435    6.9611 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2443    1.9190    7.7454 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6259    1.5062    6.1609 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1376    0.9187    3.8052 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 20  1  0  0  0  0
  2  3  2  3  0  0  0
  3  4  1  0  0  0  0
  3 19  1  0  0  0  0
  4  5  1  0  0  0  0
  4  9  2  0  0  0  0
  5  6  2  0  0  0  0
  5 21  1  0  0  0  0
  6  7  1  0  0  0  0
  6 22  1  0  0  0  0
  7  8  2  0  0  0  0
  7 23  1  0  0  0  0
  8  9  1  0  0  0  0
  8 24  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 19  2  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 17  1  0  0  0  0
 13 14  2  0  0  0  0
 13 25  1  0  0  0  0
 14 15  1  0  0  0  0
 14 26  1  0  0  0  0
 15 16  2  0  0  0  0
 15 27  1  0  0  0  0
 16 17  1  0  0  0  0
 16 28  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
M  END
$$$$