Molecule FYI-1015893

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Molecule Summary:

ID: FYI-1015893
Names:
InChIKey: UATHUDORBICWBH-UHFFFAOYSA-N
SMILES: NCCCCCCNC(=O)c1ccccc1

Received at FYIcenter.com on: 2025-10-29

Molecule ID: FYI-1015893 Edit

Molecule Structure InChIKey: UATHUDORBICWBH-UHFFFAOYSA-N

Molecule Structure SMILES String: NCCCCCCNC(=O)c1ccccc1

Download SDF Download SVG Structure in 2D SDF:

FYI-1015893
FYIcenter.com

 16 16  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2911    0.5412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4680    1.9300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7591    2.4713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9360    3.8601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2271    4.4013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4039    5.7901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6951    6.3313    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8719    7.7201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1631    8.2613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7576    8.5676    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2774    7.4138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5685    7.9550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7454    9.3438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6311   10.1914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3399    9.6501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 10 16  1  0  0  0  0
 10 12  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015893-3D
FYIcenter.com

 36 36  0     0  0  0  0  0  0999 V2000
    1.7747    2.0343    1.0528 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6011    1.2411   -0.7843 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3608   -2.1764    0.1616 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3535    0.7636   -0.4889 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6401    0.4849    0.2944 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6097    2.0153   -0.0114 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4017   -0.7473   -0.2010 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3636    2.3048   -0.8439 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6591   -0.9885    0.6341 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6067    1.1924    0.1743 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5407    0.0405    0.0848 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8227    0.1828    0.5736 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0958   -1.1345   -0.4845 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6996   -0.8988    0.4892 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9726   -2.2161   -0.5689 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2745   -2.0981   -0.0820 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6010    0.8761   -1.5519 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6980   -0.1118   -0.4070 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2954    1.3624    0.2301 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3892    0.3543    1.3545 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3312    1.8896    1.0420 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2808    2.8806   -0.0667 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6720   -0.6085   -1.2553 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7455   -1.6252   -0.1484 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6325    2.4435   -1.8966 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1029    3.2325   -0.4945 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3275   -0.1228    0.5715 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3915   -1.1284    1.6869 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5566    0.5490   -1.5241 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6398   -2.0466   -0.8100 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2225   -2.2935    0.6930 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1708    1.1112    1.0165 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0818   -1.2789   -0.8421 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7135   -0.8069    0.8675 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6398   -3.1530   -1.0060 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9566   -2.9408   -0.1462 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  2  0  0  0  0
  2  8  1  0  0  0  0
  2 10  1  0  0  0  0
  2 29  1  0  0  0  0
  3  9  1  0  0  0  0
  3 30  1  0  0  0  0
  3 31  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 17  1  0  0  0  0
  4 18  1  0  0  0  0
  5  7  1  0  0  0  0
  5 19  1  0  0  0  0
  5 20  1  0  0  0  0
  6  8  1  0  0  0  0
  6 21  1  0  0  0  0
  6 22  1  0  0  0  0
  7  9  1  0  0  0  0
  7 23  1  0  0  0  0
  7 24  1  0  0  0  0
  8 25  1  0  0  0  0
  8 26  1  0  0  0  0
  9 27  1  0  0  0  0
  9 28  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 32  1  0  0  0  0
 13 15  2  0  0  0  0
 13 33  1  0  0  0  0
 14 16  2  0  0  0  0
 14 34  1  0  0  0  0
 15 16  1  0  0  0  0
 15 35  1  0  0  0  0
 16 36  1  0  0  0  0
M  END
$$$$

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2025-11-06, 687👍, 0💬