Molecule Editor

Molecule ID: FYI-1006383 Edit

Molecule Structure InChIKey: IFWRQZYIBZXULA-UHFFFAOYSA-N

Molecule Structure SMILES String: Cn4ccc3cc(c2ccc(C(=O)NC(Cc1ccccc1)C(=O)O)nc2)ccc34

Download SDF Download SVG Structure in 2D SDF:

FYI-1006383
FYIcenter.com

 30 33  0  0  0  0  0  0  0  0999 V2000
   15.7465    9.0457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3771    9.3367    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.8078   10.6158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4153   10.4693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    8.4000    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    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    0.0000 N   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    2.8000    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
    2.4248    0.7000    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
    0.0000    0.7000    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    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 O   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  2  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  2  1  0  0  0  0
 10  5  1  0  0  0  0
 11  7  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  2  0  0  0  0
 16 11  1  0  0  0  0
 17 14  1  0  0  0  0
 18 17  2  0  0  0  0
 19 17  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  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 20  1  0  0  0  0
 29 28  1  0  0  0  0
 30 28  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006383-3D
FYIcenter.com

 51 54  0  0  1  0  0  0  0  0999 V2000
    2.6643    0.5161   -0.5049 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5746    0.4153    0.4420 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7168    0.4286    1.8012 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4618    0.2924    2.3556 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4753    0.1884    1.2904 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8764    0.0229    1.2324 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5453   -0.0782   -0.0065 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0066   -0.3080   -0.0824 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7882    0.2090   -1.1283 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1476   -0.0880   -1.2212 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7126   -0.8906   -0.2427 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1539   -1.2844   -0.3517 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8566   -0.8964   -1.2790 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6027   -2.1345    0.6301 N   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9432   -2.7155    0.6495 C   0  0  3  0  0  0  0  0  0  0  0  0
  -10.2461   -3.6076   -0.5727 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3732   -4.8369   -0.6703 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7681   -6.0399   -0.0732 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9231   -7.1496   -0.0958 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6793   -7.0679   -0.7195 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2852   -5.8799   -1.3309 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1301   -4.7705   -1.3111 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1381   -3.4715    1.9756 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2661   -3.6077    2.8253 O   0  0  0  0  0  0  0  0  0  0  0  0
  -11.3904   -3.9553    2.1679 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0175   -1.3931    0.8092 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6939   -1.0895    0.8548 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7678    0.0165   -1.1754 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3791    0.2001   -1.1495 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2468    0.2717    0.0992 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6079    0.6339    0.0335 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4893    1.3872   -1.1414 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6894   -0.4000   -1.1004 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -9.2291   -8.0737    0.3876 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0151   -7.9267   -0.7201 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3129   -5.8122   -1.8126 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8024   -3.8479   -1.7853 H   0  0  0  0  0  0  0  0  0  0  0  0
  -12.0235   -3.7596    1.4532 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1751   -1.5391    1.6991 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2364   -0.0701   -2.1541 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1838    0.2651   -2.0736 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  1 32  1  0  0  0  0
  1 33  1  0  0  0  0
  2  3  1  0  0  0  0
  2 30  1  0  0  0  0
  3  4  2  0  0  0  0
  3 34  1  0  0  0  0
  4  5  1  0  0  0  0
  4 35  1  0  0  0  0
  5  6  1  0  0  0  0
  5 30  2  0  0  0  0
  6  7  2  0  0  0  0
  6 36  1  0  0  0  0
  7  8  1  0  0  0  0
  7 28  1  0  0  0  0
  8  9  1  0  0  0  0
  8 27  2  0  0  0  0
  9 10  2  0  0  0  0
  9 37  1  0  0  0  0
 10 11  1  0  0  0  0
 10 38  1  0  0  0  0
 11 12  1  0  0  0  0
 11 26  2  0  0  0  0
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 15 23  1  0  0  0  0
 15 40  1  0  0  0  0
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 17 22  2  0  0  0  0
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 23 24  2  0  0  0  0
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 25 48  1  0  0  0  0
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 28 29  2  0  0  0  0
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 29 30  1  0  0  0  0
 29 51  1  0  0  0  0
M  END
$$$$