Molecule FYI-1015907

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A

Molecule Summary:

ID: FYI-1015907
Names:
InChIKey: VGVHCONCXAZSIF-UHFFFAOYSA-N
SMILES: N#CC3C=CC(CN2C=NC1C=CC=CC12)=CC3

Received at FYIcenter.com on: 2025-10-30

Molecule ID: FYI-1015907 Edit

Molecule Structure InChIKey: VGVHCONCXAZSIF-UHFFFAOYSA-N

Molecule Structure SMILES String: N#CC3C=CC(CN2C=NC1C=CC=CC12)=CC3

Download SDF Download SVG Structure in 2D SDF:

FYI-1015907
FYIcenter.com

 18 20  0  0  0  0  0  0  0  0999 V2000
    9.4905    1.2552    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2779    1.9552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0655    2.6552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0655    4.0553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8531    4.7553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6407    4.0553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4282    4.7553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2158    4.0553    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9369    4.6246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5843    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    2.3719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2674    1.0403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2041    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5736    0.2911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0062    1.6225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0695    2.6629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6407    2.6552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8531    1.9552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  3  0  0  0  0
  3  2  1  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
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 16 15  1  0  0  0  0
 16  8  1  0  0  0  0
 16 11  1  0  0  0  0
 17  6  2  0  0  0  0
 18 17  1  0  0  0  0
 18  3  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015907-3D
FYIcenter.com

 33 35  0  0  1  0  0  0  0  0999 V2000
    4.1413   -0.5524    2.2891 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1754    0.1721    1.2576 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2164    1.0455    0.0142 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.6544    1.2634   -0.4028 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1259    0.9359   -1.6119 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3085    0.2792   -2.6144 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0320   -0.3835   -3.7652 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2912    0.3912   -4.9936 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1464   -0.3428   -5.8422 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4155   -0.0134   -5.9394 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4793    1.0747   -4.9211 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.4866    2.1592   -5.0906 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1750    3.3925   -4.6415 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8697    3.6961   -4.0463 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8247    2.8431   -4.1467 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0494    1.6424   -4.9903 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.9994    0.0803   -2.3795 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3063    0.4823   -1.1022 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8056    2.0198    0.3123 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3110    1.7439    0.3177 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1773    1.1125   -1.8325 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4382   -1.2583   -4.0746 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9688   -0.8167   -3.3849 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6663   -1.1716   -6.3816 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6883    0.6028   -3.9503 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4677    1.9170   -5.4730 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9049    4.1985   -4.6893 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7488    4.6646   -3.5679 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8360    3.1001   -3.8085 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8884    2.0483   -6.0113 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4013   -0.4770   -3.0990 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7364   -0.3800   -0.7356 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5627    1.2422   -1.3682 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 18  1  0  0  0  0
  3 19  1  0  0  0  0
  4  5  2  0  0  0  0
  4 20  1  0  0  0  0
  5  6  1  0  0  0  0
  5 21  1  0  0  0  0
  6  7  1  0  0  0  0
  6 17  2  0  0  0  0
  7  8  1  0  0  0  0
  7 22  1  0  0  0  0
  7 23  1  0  0  0  0
  8  9  1  0  0  0  0
  8 16  1  0  0  0  0
  9 10  2  0  0  0  0
  9 24  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 16  1  0  0  0  0
 11 25  1  0  0  0  0
 12 13  2  0  0  0  0
 12 26  1  0  0  0  0
 13 14  1  0  0  0  0
 13 27  1  0  0  0  0
 14 15  2  0  0  0  0
 14 28  1  0  0  0  0
 15 16  1  0  0  0  0
 15 29  1  0  0  0  0
 16 30  1  0  0  0  0
 17 18  1  0  0  0  0
 17 31  1  0  0  0  0
 18 32  1  0  0  0  0
 18 33  1  0  0  0  0
M  END
$$$$

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2025-11-06, 1108👍, 0💬