Molecule Editor

Molecule ID: FYI-1015278 Edit

Molecule Structure InChIKey: HFJRFOXCHQPJEH-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C(NCc1ccccc1Cl)c4cc(c2ccc(Cl)cc2)nc5[nH]nc(c3ccccc3)c45

Download SDF Download SVG Structure in 2D SDF:

FYI-1015278
FYIcenter.com

 33 37  0  0  0  0  0  0  0  0999 V2000
    3.5662    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7786    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9910    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2034    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4159    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6283    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8407    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8407    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6283    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4159    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2034    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.7786    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9910    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9910    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2034    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4159    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6283    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6283    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8407    9.1000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.4159    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2034    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7786    7.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5662    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2347    6.7326    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4118    5.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2347    4.4674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8021    3.1359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4326    2.8448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.5134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9367    0.4729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3062    0.7640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7388    2.0955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5662    4.9000    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  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 10  5  1  0  0  0  0
 11 10  1  0  0  0  0
 12  2  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 15  2  0  0  0  0
 17 16  1  0  0  0  0
 18 17  2  0  0  0  0
 19 18  1  0  0  0  0
 20 18  1  0  0  0  0
 21 20  2  0  0  0  0
 21 15  1  0  0  0  0
 22 14  2  0  0  0  0
 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
 25 24  1  0  0  0  0
 26 25  2  0  0  0  0
 27 26  1  0  0  0  0
 28 27  2  0  0  0  0
 29 28  1  0  0  0  0
 30 29  2  0  0  0  0
 31 30  1  0  0  0  0
 32 31  2  0  0  0  0
 32 27  1  0  0  0  0
 33 26  1  0  0  0  0
 33 12  1  0  0  0  0
 33 23  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015278-3D
FYIcenter.com

 51 55  0     0  0  0  0  0  0999 V2000
   -1.4612    4.1547    0.7210 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.0422    2.4092    0.2037 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.8785   -0.5231    2.4580 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0524   -3.4919   -1.4210 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8768   -1.5636   -0.9622 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3541   -3.2937   -1.7177 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5045    0.7880    0.6506 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5474   -1.7155   -0.2824 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4851   -0.6099    0.5524 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4823   -2.5710   -0.5618 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6717   -2.1977   -1.0193 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7304    0.0259    0.5972 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8344   -0.4665   -0.1403 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8621   -2.6424   -0.1456 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6640   -0.1358    1.2911 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0998    0.2322   -0.0554 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6764    1.3706    1.2638 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8479   -1.9866   -0.8828 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2101   -3.3673    0.9941 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4055    2.2868    0.3242 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1864    1.5678   -0.4484 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2324   -0.4302    0.4182 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1818   -2.0555   -0.4805 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5439   -3.4366    1.3964 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5297   -2.7805    0.6591 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9249    3.5615    0.0247 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5915    1.8348   -0.2545 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4054    2.2408   -0.3682 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4515    0.2428    0.4983 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5380    1.5783    0.1052 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6303    4.3843   -0.8534 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2969    2.6578   -1.1326 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8164    3.9325   -1.4320 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8442    0.9128    1.2196 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4131   -4.2844   -1.8457 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3754    1.8915    2.1801 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3203    0.5455    1.5926 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2685    1.0662   -0.2984 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5934   -1.4163   -1.7731 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4535   -3.8833    1.5805 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3172    2.1011   -0.8266 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1838   -1.4700    0.7330 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9497   -1.5472   -1.0561 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8149   -4.0006    2.2841 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5682   -2.8342    0.9724 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9848    0.8485   -0.0275 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4585    3.2810   -0.6793 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3257   -0.2857    0.8699 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2693    5.3803   -1.0972 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2212    2.3066   -1.5819 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3660    4.5732   -2.1154 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 26  1  0  0  0  0
  2 30  1  0  0  0  0
  3 15  2  0  0  0  0
  4  6  1  0  0  0  0
  4 10  1  0  0  0  0
  4 35  1  0  0  0  0
  5 11  1  0  0  0  0
  5 13  2  0  0  0  0
  6 11  2  0  0  0  0
  7 15  1  0  0  0  0
  7 17  1  0  0  0  0
  7 38  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  8 11  1  0  0  0  0
  9 12  2  0  0  0  0
  9 15  1  0  0  0  0
 10 14  1  0  0  0  0
 12 13  1  0  0  0  0
 12 34  1  0  0  0  0
 13 16  1  0  0  0  0
 14 18  2  0  0  0  0
 14 19  1  0  0  0  0
 16 21  2  0  0  0  0
 16 22  1  0  0  0  0
 17 20  1  0  0  0  0
 17 36  1  0  0  0  0
 17 37  1  0  0  0  0
 18 23  1  0  0  0  0
 18 39  1  0  0  0  0
 19 24  2  0  0  0  0
 19 40  1  0  0  0  0
 20 26  1  0  0  0  0
 20 27  2  0  0  0  0
 21 28  1  0  0  0  0
 21 41  1  0  0  0  0
 22 29  2  0  0  0  0
 22 42  1  0  0  0  0
 23 25  2  0  0  0  0
 23 43  1  0  0  0  0
 24 25  1  0  0  0  0
 24 44  1  0  0  0  0
 25 45  1  0  0  0  0
 26 31  2  0  0  0  0
 27 32  1  0  0  0  0
 27 46  1  0  0  0  0
 28 30  2  0  0  0  0
 28 47  1  0  0  0  0
 29 30  1  0  0  0  0
 29 48  1  0  0  0  0
 31 33  1  0  0  0  0
 31 49  1  0  0  0  0
 32 33  2  0  0  0  0
 32 50  1  0  0  0  0
 33 51  1  0  0  0  0
M  END
$$$$