Molecule FYI-1005482

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Molecule Summary:

ID: FYI-1005482
Names:
InChIKey: VWAKFWAKOQAZLL-UHFFFAOYSA-N
SMILES: CC(c2cccc1CCCc12)N(C)C

Received at FYIcenter.com on: 2023-10-31

Molecule ID: FYI-1005482 Edit

Molecule Structure InChIKey: VWAKFWAKOQAZLL-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(c2cccc1CCCc12)N(C)C

Download SDF Download SVG Structure in 2D SDF:

FYI-1005482
FYIcenter.com

 14 15  0  0  0  0  0  0  0  0999 V2000
    2.4247    3.5001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2122    4.2001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2122    5.6001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4247    6.3001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6371    5.6001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6371    4.2001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2126    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    1.4002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9686    3.7675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7915    4.9001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9686    6.0327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  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
  1  7  1  0  0  0  0
  7  8  1  1  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  7 11  1  6  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
  5 14  1  0  0  0  0
  6 12  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005482-3D
FYIcenter.com

 33 34  0  0  1  0  0  0  0  0999 V2000
    1.6968   -0.7390    1.2042 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4938    0.0031    0.1156 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.9479    1.3609    0.6567 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4923    2.5277    0.0047 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8716    3.8098    0.4281 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7235    3.9729    1.5153 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1900    2.8372    2.1539 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0980    2.7853    3.3442 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5834    1.3348    3.2740 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4306    0.5329    2.6574 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8087    1.5456    1.7424 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6002   -0.8140   -0.4562 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0956   -2.0480   -1.0753 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3515   -0.0747   -1.4825 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9425   -0.0816    1.6524 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3380   -1.1090    2.0098 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1570   -1.5986    0.7940 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7770    0.1985   -0.6956 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8312    2.4442   -0.8564 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4963    4.6829   -0.1015 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0170    4.9628    1.8456 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5303    2.9726    4.2613 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9305    3.4900    3.2676 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8929    0.9502    4.2507 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4581    1.2784    2.6108 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7135    0.2367    3.4323 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8050   -0.3547    2.1372 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6408   -2.7162   -0.3389 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9173   -2.6192   -1.5241 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3602   -1.8415   -1.8624 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7982    0.8442   -1.0913 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7256    0.1820   -2.3454 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1937   -0.6790   -1.8401 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  2  3  1  0  0  0  0
  2 12  1  0  0  0  0
  2 18  1  0  0  0  0
  3  4  1  0  0  0  0
  3 11  2  0  0  0  0
  4  5  2  0  0  0  0
  4 19  1  0  0  0  0
  5  6  1  0  0  0  0
  5 20  1  0  0  0  0
  6  7  2  0  0  0  0
  6 21  1  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 22  1  0  0  0  0
  8 23  1  0  0  0  0
  9 10  1  0  0  0  0
  9 24  1  0  0  0  0
  9 25  1  0  0  0  0
 10 11  1  0  0  0  0
 10 26  1  0  0  0  0
 10 27  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 28  1  0  0  0  0
 13 29  1  0  0  0  0
 13 30  1  0  0  0  0
 14 31  1  0  0  0  0
 14 32  1  0  0  0  0
 14 33  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-11-06, 2227👍, 0💬