Molecule Editor

Molecule ID: FYI-1005568 Edit

Molecule Structure InChIKey: QBHCKLLJYWWZNV-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCCC(=O)c2cc1c(C)cc(=O)oc1cc2NC(c3ccccc3)c4ccccc4

Download SDF Download SVG Structure in 2D SDF:

FYI-1005568
FYIcenter.com

 33 36  0  0  0  0  0  0  0  0999 V2000
   13.3368    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    8.4000    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  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  6  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
 13  8  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 20 19  1  0  0  0  0
 21 20  2  0  0  0  0
 21 16  1  0  0  0  0
 22 15  1  0  0  0  0
 23 22  2  0  0  0  0
 24 23  1  0  0  0  0
 25 24  2  0  0  0  0
 26 25  1  0  0  0  0
 27 26  2  0  0  0  0
 27 22  1  0  0  0  0
 28 11  1  0  0  0  0
 29 28  1  0  0  0  0
 30 29  2  0  0  0  0
 31 29  1  0  0  0  0
 32 31  2  0  0  0  0
 32 10  1  0  0  0  0
 33 32  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005568-3D
FYIcenter.com

 62 65  0  0  0  0  0  0  0  0999 V2000
    1.0322    0.0747    0.2916 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5362   -0.0394    0.1052 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0949    1.1603   -0.6592 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6067    1.0408   -0.8458 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1731    2.2404   -1.6097 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6748    2.1227   -1.7974 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3093    1.1613   -1.3517 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4315    3.1483   -2.5797 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5820    2.6420   -3.2384 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4302    3.4636   -3.9795 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6465    3.0142   -4.6718 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1192    1.5905   -4.6397 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3628    3.9293   -5.3468 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0042    5.3468   -5.4252 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6992    6.1425   -6.0671 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8716    5.7439   -4.7463 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0912    4.8104   -4.0331 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9585    5.3324   -3.3978 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0666    4.5061   -2.7003 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9124    5.0101   -2.0928 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1454    6.1481   -2.6434 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6514    5.8567   -4.0596 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7879    4.7836   -4.3311 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3615    4.5228   -5.6349 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7671    5.3498   -6.6800 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6008    6.4364   -6.4267 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0425    6.6875   -5.1266 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9793    6.5220   -1.7148 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$