Molecule FYI-1016401

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A

Molecule Summary:

ID: FYI-1016401
Names:
InChIKey: WUHHNOHPCBBNRR-SDNWHVSQSA-N
SMILES: c2ccc(/N=C/C1CCCCC1)cc2

Received at FYIcenter.com on: 2025-12-22

Molecule ID: FYI-1016401 Edit

Molecule Structure InChIKey: WUHHNOHPCBBNRR-SDNWHVSQSA-N

Molecule Structure SMILES String: c2ccc(/N=C/C1CCCCC1)cc2

Download SDF Download SVG Structure in 2D SDF:

FYI-1016401
FYIcenter.com

 14 15  0  0  0  0  0  0  0  0999 V2000
    6.0624    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0624    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2748    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2748    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    2.7999    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    4.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.8999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.2999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.9998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.2998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.8998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.1998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  2  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  3  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
  9 14  1  0  0  0  0
  9 10  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016401-3D
FYIcenter.com

 31 32  0  0  0  0  0  0  0  0999 V2000
    1.2409   -1.6580   -1.1023 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3942   -2.0870   -0.0817 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9708   -1.7771   -0.1234 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5111   -1.0227   -1.1753 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8778   -0.7251   -1.3252 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6313   -0.5420   -0.2863 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1181   -0.2733   -0.4554 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5156    1.0713    0.1700 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0291    1.2891    0.1200 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7830    0.1367    0.7772 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4029   -1.1999    0.1485 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8946   -1.4304    0.1855 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6405   -0.6048   -2.1910 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7226   -0.9133   -2.1569 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2968   -1.9027   -1.0757 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7925   -2.6721    0.7429 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6068   -2.1497    0.6745 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2521   -0.5948    0.7477 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3445   -0.2412   -1.5269 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0141    1.8926   -0.3560 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1785    1.1218    1.2132 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3521    1.3853   -0.9247 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2886    2.2295    0.6196 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8633    0.2957    0.6825 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5561    0.1158    1.8502 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7506   -1.2258   -0.8915 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9130   -2.0136    0.6761 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6567   -2.3669   -0.3333 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5764   -1.5659    1.2272 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0399   -0.0328   -3.0268 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3749   -0.5780   -2.9599 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 14  2  0  0  0  0
  1 15  1  0  0  0  0
  2  3  2  0  0  0  0
  2 16  1  0  0  0  0
  3  4  1  0  0  0  0
  3 17  1  0  0  0  0
  4  5  1  0  0  0  0
  4 13  2  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6 18  1  0  0  0  0
  7  8  1  0  0  0  0
  7 12  1  0  0  0  0
  7 19  1  0  0  0  0
  8  9  1  0  0  0  0
  8 20  1  0  0  0  0
  8 21  1  0  0  0  0
  9 10  1  0  0  0  0
  9 22  1  0  0  0  0
  9 23  1  0  0  0  0
 10 11  1  0  0  0  0
 10 24  1  0  0  0  0
 10 25  1  0  0  0  0
 11 12  1  0  0  0  0
 11 26  1  0  0  0  0
 11 27  1  0  0  0  0
 12 28  1  0  0  0  0
 12 29  1  0  0  0  0
 13 14  1  0  0  0  0
 13 30  1  0  0  0  0
 14 31  1  0  0  0  0
M  END
$$$$

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2026-01-24, 137👍, 0💬