Molecule Editor

Molecule ID: FYI-1015910 Edit

Molecule Structure InChIKey: LWXVNDLKGYKKLE-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(C)Cc2ccc(Cc1ccc(C(=O)NO)cn1)cc2

Download SDF Download SVG Structure in 2D SDF:

FYI-1015910
FYIcenter.com

 21 22  0  0  0  0  0  0  0  0999 V2000
    6.0622    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    9.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995   10.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746   11.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    9.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.6000    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
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 C   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    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  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  4  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  1  0  0  0  0
 12 11  2  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  1  0  0  0  0
 17 16  1  0  0  0  0
 18 16  1  0  0  0  0
 19 14  1  0  0  0  0
 20 19  2  0  0  0  0
 20 11  1  0  0  0  0
 21  9  1  0  0  0  0
  1 21  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015910-3D
FYIcenter.com

 41 42  0  0  0  0  0  0  0  0999 V2000
    2.5856   -3.2070   -0.7943 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2669   -1.7356   -0.5213 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7509   -1.5491   -0.4121 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9466   -1.2274    0.7636 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4580   -1.2502    0.7346 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1741   -0.4799   -0.1907 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5711   -0.4467   -0.1596 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2796   -1.1865    0.7949 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7803   -1.0276    0.9237 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1514    0.1758    1.7700 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8542    0.1951    3.1345 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0554    1.3651    3.8666 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5664    2.4917    3.2237 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7547    3.8080    3.8801 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2481    4.7542    3.2698 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3256    3.9445    5.1811 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.3998    5.2507    5.7177 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8916    2.3693    1.8771 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6954    1.2440    1.1409 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5646   -1.9854    1.6976 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1682   -2.0098    1.6721 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0962   -3.5416   -1.7151 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2392   -3.8469    0.0244 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6610   -3.3670   -0.9192 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6151   -1.1449   -1.3774 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3341   -2.1484    0.4049 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2550   -1.8520   -1.3403 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4978   -0.5000   -0.2252 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5843   -1.8103    1.6206 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6393   -0.1912    0.9588 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6500    0.1229   -0.9284 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1041    0.1873   -0.8660 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2222   -0.9300   -0.0766 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2247   -1.9309    1.3602 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4224   -0.6752    3.6183 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7857    1.3613    4.9143 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7602    3.2837    5.6976 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7781    5.7619    4.9681 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3184    3.2010    1.3206 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0864   -2.5664    2.4538 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6376   -2.6107    2.4072 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 22  1  0  0  0  0
  1 23  1  0  0  0  0
  1 24  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2 25  1  0  0  0  0
  3 26  1  0  0  0  0
  3 27  1  0  0  0  0
  3 28  1  0  0  0  0
  4  5  1  0  0  0  0
  4 29  1  0  0  0  0
  4 30  1  0  0  0  0
  5  6  1  0  0  0  0
  5 21  2  0  0  0  0
  6  7  2  0  0  0  0
  6 31  1  0  0  0  0
  7  8  1  0  0  0  0
  7 32  1  0  0  0  0
  8  9  1  0  0  0  0
  8 20  2  0  0  0  0
  9 10  1  0  0  0  0
  9 33  1  0  0  0  0
  9 34  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
 11 35  1  0  0  0  0
 12 13  1  0  0  0  0
 12 36  1  0  0  0  0
 13 14  1  0  0  0  0
 13 18  2  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 37  1  0  0  0  0
 17 38  1  0  0  0  0
 18 19  1  0  0  0  0
 18 39  1  0  0  0  0
 20 21  1  0  0  0  0
 20 40  1  0  0  0  0
 21 41  1  0  0  0  0
M  END
$$$$