Molecule FYI-1003866

A

Molecule Summary:

ID: FYI-1003866
Names:
InChIKey: QZHHLLRLZUATHE-CAPFRKAQSA-N
SMILES: C=C/1CCCC1=C/2CNc5c2[nH]c6cc4CC3=CC=CCC3c4cc56

Received at FYIcenter.com on: 2023-08-01

Molecule ID: FYI-1003866 Edit

Molecule Structure InChIKey: QZHHLLRLZUATHE-CAPFRKAQSA-N

Molecule Structure SMILES String: C=C/1CCCC1=C/2CNc5c2[nH]c6cc4CC3=CC=CCC3c4cc56

Download SDF Download SVG Structure in 2D SDF:

FYI-1003866
FYIcenter.com

 25 30  0  0  0  0  0  0  0  0999 V2000
    0.1306    2.4424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    3.7215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9369    5.9742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2158    5.4048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0695    4.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1098    3.0757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9635    1.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2424    1.1140    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1793    2.1543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4793    3.3669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4160    4.4072    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6949    3.8378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9740    4.4072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1066    3.5843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9603    2.1920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6812    1.6226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5486    2.4454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.6718    0.2911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0413    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9780    1.0403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5454    2.3719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1761    2.6629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4761    3.8753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
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  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  6  2  1  0  0  0  0
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  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 11  7  1  0  0  0  0
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 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
 17 16  1  0  0  0  0
 18 17  2  0  0  0  0
 18 10  1  0  0  0  0
 18 13  1  0  0  0  0
 19 16  1  0  0  0  0
 20 19  1  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
 25 24  1  0  0  0  0
 25 15  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003866-3D
FYIcenter.com

 47 52  0  0  1  0  0  0  0  0999 V2000
    1.2258    0.3262    2.6299 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1053    1.6587    2.5829 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0691    2.4245    3.1204 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5256    3.7770    3.5081 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0435    3.5871    3.5175 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2275    2.5642    2.4302 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0904    2.6706    1.4002 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8622    2.3651   -0.0967 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8603    3.3180   -0.7388 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6499    3.8911    0.1968 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2140    3.4995    1.4215 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0459    3.9190    2.3806 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9556    4.7762    1.7871 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9109    5.5603    2.4269 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5464    6.4864    1.6231 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3192    7.6593    2.1364 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2542    8.6357    0.9689 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0854    9.6960    0.8863 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4628    9.3186    0.5991 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6843    8.3038   -0.2531 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5425    7.5126   -0.9017 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1099    7.7636   -0.3071 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.3931    6.5349    0.2316 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5097    5.6621   -0.4219 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7221    4.7948    0.3846 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4021   -0.2964    2.9633 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1734   -0.1689    2.4400 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5100    1.9309    3.9928 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8423    2.5432    2.3547 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1509    4.1316    4.4732 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2440    4.5277    2.7562 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3956    3.2056    4.4824 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5291    4.5488    3.3194 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8489    2.6259   -0.4186 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1131    1.3319   -0.3555 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8687    3.4682   -1.7386 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9903    3.7097    3.3684 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0343    5.5518    3.5024 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3428    7.3516    2.3764 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8320    8.0861    3.0172 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8143   10.4777    0.1700 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2539    9.8652    1.1003 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7062    8.0072   -0.4736 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7989    6.4481   -0.8574 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5327    7.7870   -1.9649 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4645    8.2715   -1.0338 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3294    5.7288   -1.4892 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1 26  1  0  0  0  0
  1 27  1  0  0  0  0
  2  3  1  0  0  0  0
  2  6  1  0  0  0  0
  3  4  1  0  0  0  0
  3 28  1  0  0  0  0
  3 29  1  0  0  0  0
  4  5  1  0  0  0  0
  4 30  1  0  0  0  0
  4 31  1  0  0  0  0
  5  6  1  0  0  0  0
  5 32  1  0  0  0  0
  5 33  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7 11  1  0  0  0  0
  8  9  1  0  0  0  0
  8 34  1  0  0  0  0
  8 35  1  0  0  0  0
  9 10  1  0  0  0  0
  9 36  1  0  0  0  0
 10 11  2  0  0  0  0
 10 25  1  0  0  0  0
 11 12  1  0  0  0  0
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 12 37  1  0  0  0  0
 13 14  1  0  0  0  0
 13 25  2  0  0  0  0
 14 15  2  0  0  0  0
 14 38  1  0  0  0  0
 15 16  1  0  0  0  0
 15 23  1  0  0  0  0
 16 17  1  0  0  0  0
 16 39  1  0  0  0  0
 16 40  1  0  0  0  0
 17 18  2  3  0  0  0
 17 22  1  0  0  0  0
 18 19  1  0  0  0  0
 18 41  1  0  0  0  0
 19 20  2  0  0  0  0
 19 42  1  0  0  0  0
 20 21  1  0  0  0  0
 20 43  1  0  0  0  0
 21 22  1  0  0  0  0
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 22 23  1  0  0  0  0
 22 46  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 24 47  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-08-09, 1453👍, 0💬