Molecule FYI-1008303

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A

Molecule Summary:

ID: FYI-1008303
Names:
InChIKey: WKZHLTPWQWEKNS-UHFFFAOYSA-N
SMILES: CN(CCc1ccccc1)c2cc(N)ncn2

Received at FYIcenter.com on: 2024-04-27

Molecule ID: FYI-1008303 Edit

Molecule Structure InChIKey: WKZHLTPWQWEKNS-UHFFFAOYSA-N

Molecule Structure SMILES String: CN(CCc1ccccc1)c2cc(N)ncn2

Download SDF Download SVG Structure in 2D SDF:

FYI-1008303
FYIcenter.com

 17 18  0  0  0  0  0  0  0  0999 V2000
    7.2747    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    2.8000    0.0000 N   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
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    7.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    7.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 10  5  1  0  0  0  0
 11  2  1  0  0  0  0
 12 11  2  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 13  2  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 17 11  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1008303-3D
FYIcenter.com

 33 34  0     0  0  0  0  0  0999 V2000
    0.9344    1.2342    0.3647 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6351   -1.0273    0.4012 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9386   -1.5698   -0.0540 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4925    0.1703   -0.5338 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4233    0.8568    0.6830 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2154    0.5481   -0.5953 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6200    0.1159   -0.3407 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9455    0.2738    0.2254 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2405    2.6531    0.1798 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9135   -1.2370   -0.1693 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6402    1.0647   -0.2744 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2119    0.7244   -0.0869 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2273   -1.6411    0.0685 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9539    0.6607   -0.0366 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2475   -0.6922    0.1349 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1784   -0.2520   -0.2156 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6641   -1.8826    0.2489 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9220    1.6665    1.2321 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4487   -0.0004    1.3685 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2168    1.4312   -1.2488 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6999   -0.2273   -1.1778 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3415    3.2677    0.3061 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6078    2.8526   -0.8331 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9653    3.0036    0.9229 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1270   -1.9856   -0.2165 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4242    2.1219   -0.4042 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4832    1.7622   -0.2297 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4557   -2.6943    0.2026 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7483    1.3995    0.0157 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2704   -1.0066    0.3203 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4430   -2.9342    0.3844 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6097    1.0270   -1.0608 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1956   -0.5517   -0.6316 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  8  1  0  0  0  0
  1  9  1  0  0  0  0
  2  8  2  0  0  0  0
  2 17  1  0  0  0  0
  3 16  1  0  0  0  0
  3 17  2  0  0  0  0
  4 16  1  0  0  0  0
  4 32  1  0  0  0  0
  4 33  1  0  0  0  0
  5  6  1  0  0  0  0
  5 18  1  0  0  0  0
  5 19  1  0  0  0  0
  6  7  1  0  0  0  0
  6 20  1  0  0  0  0
  6 21  1  0  0  0  0
  7 10  2  0  0  0  0
  7 11  1  0  0  0  0
  8 12  1  0  0  0  0
  9 22  1  0  0  0  0
  9 23  1  0  0  0  0
  9 24  1  0  0  0  0
 10 13  1  0  0  0  0
 10 25  1  0  0  0  0
 11 14  2  0  0  0  0
 11 26  1  0  0  0  0
 12 16  2  0  0  0  0
 12 27  1  0  0  0  0
 13 15  2  0  0  0  0
 13 28  1  0  0  0  0
 14 15  1  0  0  0  0
 14 29  1  0  0  0  0
 15 30  1  0  0  0  0
 17 31  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-07-11, 1396👍, 0💬