Molecule FYI-1000429

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Molecule Summary:

ID: FYI-1000429
SMILES: Oc1ccc2c(OC(=O)C=C2C)c1C=1CC(NN=1)c1ccccc1

Received at FYIcenter.com on: 2021-06-24

Molecule ID: FYI-1000429 Edit

Molecule Structure SMILES String: Oc1ccc2c(OC(=O)C=C2C)c1C=1CC(NN=1)c1ccccc1

Download SDF Download SVG Structure in 2D SDF:

FYI-1000429
FYIcenter.com

 24 27  0  0  0  0  0  0  0  0999 V2000
    8.8176    0.2834    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8176    1.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0300    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0300    3.7834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8176    4.4834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6051    3.7834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3927    4.4834    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3927    5.8834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1803    6.5834    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6051    6.5834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8176    5.8834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0300    6.5834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6051    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3927    1.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1138    2.2527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1769    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8769    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2464    0.2911    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7846    1.3587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2152    2.6377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8228    2.7840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.6514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5694    0.3724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9617    0.2261    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  1  0  0  0  0
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  9  8  2  0  0  0  0
 10  8  1  0  0  0  0
 11 10  2  0  0  0  0
 11  5  1  0  0  0  0
 12 11  1  0  0  0  0
 13  6  2  0  0  0  0
 13  2  1  0  0  0  0
 14 13  1  0  0  0  0
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 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 18 14  2  0  0  0  0
 19 16  1  0  0  0  0
 20 19  2  0  0  0  0
 21 20  1  0  0  0  0
 22 21  2  0  0  0  0
 23 22  1  0  0  0  0
 24 23  2  0  0  0  0
 24 19  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1000429-3D
FYIcenter.com

 40 43  0  0  1  0  0  0  0  0999 V2000
    3.8225   -0.9950   -0.0106 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5739   -0.4427   -0.0014 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4714    0.9495    0.0433 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2159    1.5615    0.0312 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0434    0.7970   -0.0126 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1706   -0.5990   -0.0432 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0006   -1.4006   -0.0163 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2774   -0.8775   -0.0081 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2895   -1.5685    0.0226 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3718    0.5874   -0.0236 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3005    1.3971   -0.0191 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4618    2.8887   -0.0245 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4260   -1.2408   -0.0505 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5001   -2.7252   -0.0727 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6278   -3.4771    0.5871 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1972   -4.9185    0.3417 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.8878   -4.7505   -0.2802 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5973   -3.4788   -0.6238 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1682   -5.7036   -0.5163 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7824   -6.8527    0.0060 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6369   -7.6249   -0.7829 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8977   -7.2529   -2.0998 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3246   -6.0956   -2.6219 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4687   -5.3234   -1.8349 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5023   -0.3000   -0.0250 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3586    1.5759    0.0864 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1783    2.6484    0.0625 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3839    0.9720   -0.0278 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5163    3.1854   -0.0476 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9840    3.3281   -0.9070 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0216    3.3281    0.8765 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6525   -3.2275    1.6519 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5874   -3.2571    0.1182 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0603   -5.4251    1.3021 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6471   -5.4496   -0.9817 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5899   -7.1617    1.0312 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0896   -8.5234   -0.3721 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5447   -7.8669   -2.7203 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5324   -5.7991   -3.6465 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0225   -4.4257   -2.2600 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 25  1  0  0  0  0
  2  3  1  0  0  0  0
  2 13  2  0  0  0  0
  3  4  2  0  0  0  0
  3 26  1  0  0  0  0
  4  5  1  0  0  0  0
  4 27  1  0  0  0  0
  5  6  2  0  0  0  0
  5 11  1  0  0  0  0
  6  7  1  0  0  0  0
  6 13  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 28  1  0  0  0  0
 11 12  1  0  0  0  0
 12 29  1  0  0  0  0
 12 30  1  0  0  0  0
 12 31  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 18  2  0  0  0  0
 15 16  1  0  0  0  0
 15 32  1  0  0  0  0
 15 33  1  0  0  0  0
 16 17  1  0  0  0  0
 16 19  1  0  0  0  0
 16 34  1  0  0  0  0
 17 18  1  0  0  0  0
 17 35  1  0  0  0  0
 19 20  1  0  0  0  0
 19 24  2  0  0  0  0
 20 21  2  0  0  0  0
 20 36  1  0  0  0  0
 21 22  1  0  0  0  0
 21 37  1  0  0  0  0
 22 23  2  0  0  0  0
 22 38  1  0  0  0  0
 23 24  1  0  0  0  0
 23 39  1  0  0  0  0
 24 40  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-11-04, 2026👍, 0💬