Molecule FYI-1015615

A

Molecule Summary:

ID: FYI-1015615
Names:
InChIKey: XNVHBNJXCKSADW-UHFFFAOYSA-N
SMILES: O=C(c2cccc(C(=O)N1CCCCC1)c2)N3CCCCC3

Received at FYIcenter.com on: 2025-09-15

Molecule ID: FYI-1015615 Edit

Molecule Structure InChIKey: XNVHBNJXCKSADW-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C(c2cccc(C(=O)N1CCCCC1)c2)N3CCCCC3

Download SDF Download SVG Structure in 2D SDF:

FYI-1015615
FYIcenter.com

 22 24  0  0  0  0  0  0  0  0999 V2000
    7.2747    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    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
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.7000    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 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4872    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    0.7001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    2.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  2  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
  9  4  1  0  0  0  0
 10  6  1  0  0  0  0
 11 10  2  0  0  0  0
 12 10  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
  1 17  1  0  0  0  0
  1 13  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 12 22  1  0  0  0  0
 12 18  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015615-3D
FYIcenter.com

 46 48  0     0  0  0  0  0  0999 V2000
   -2.9505    1.7541   -1.5175 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9554    1.7539   -1.5147 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0475   -0.0786   -0.0687 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0491   -0.0789   -0.0655 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4420   -2.9162    0.2874 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4388   -2.9178    0.2842 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1078   -2.1546   -0.8591 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1535   -2.2245    0.7333 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1105   -2.1538   -0.8572 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1491   -2.2260    0.7261 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3145   -0.6864   -0.4969 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3963   -0.7520    1.0552 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3171   -0.6866   -0.4905 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3926   -0.7549    1.0537 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4763    1.0768   -0.6067 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4793    1.0764   -0.6051 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2049    1.5478   -0.0433 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2072    1.5471   -0.0441 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0005    1.0988   -0.5793 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2095    2.4420    1.0243 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2063    2.4431    1.0252 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0020    2.8903    1.5593 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1351   -2.9782    1.1353 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2234   -3.9431   -0.0255 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1281   -2.9828    1.1350 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2207   -3.9436   -0.0326 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4729   -2.2239   -1.7513 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.7428   -2.7358    1.6108 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4075   -2.3033   -0.0674 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0725   -2.6168   -1.1021 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4796   -2.2201   -1.7523 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4067   -2.3014   -0.0783 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7337   -2.7395    1.6003 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0284   -0.5827    0.3280 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7091   -0.1344   -1.3559 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4507   -0.3109    1.3689 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0757   -0.6659    1.9127 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0280   -0.5858    0.3374 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7155   -0.1328   -1.3466 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0688   -0.6726    1.9140 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4465   -0.3133    1.3655 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0006    0.3991   -1.4121 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1457    2.7961    1.4478 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1415    2.7983    1.4502 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0027    3.5874    2.3922 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  2  0  0  0  0
  2 16  2  0  0  0  0
  3 11  1  0  0  0  0
  3 12  1  0  0  0  0
  3 15  1  0  0  0  0
  4 13  1  0  0  0  0
  4 14  1  0  0  0  0
  4 16  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5 23  1  0  0  0  0
  5 24  1  0  0  0  0
  6  9  1  0  0  0  0
  6 10  1  0  0  0  0
  6 25  1  0  0  0  0
  6 26  1  0  0  0  0
  7 11  1  0  0  0  0
  7 27  1  0  0  0  0
  7 28  1  0  0  0  0
  8 12  1  0  0  0  0
  8 29  1  0  0  0  0
  8 30  1  0  0  0  0
  9 13  1  0  0  0  0
  9 31  1  0  0  0  0
  9 32  1  0  0  0  0
 10 14  1  0  0  0  0
 10 33  1  0  0  0  0
 10 34  1  0  0  0  0
 11 35  1  0  0  0  0
 11 36  1  0  0  0  0
 12 37  1  0  0  0  0
 12 38  1  0  0  0  0
 13 39  1  0  0  0  0
 13 40  1  0  0  0  0
 14 41  1  0  0  0  0
 14 42  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  2  0  0  0  0
 17 20  1  0  0  0  0
 18 19  1  0  0  0  0
 18 21  2  0  0  0  0
 19 43  1  0  0  0  0
 20 22  2  0  0  0  0
 20 44  1  0  0  0  0
 21 22  1  0  0  0  0
 21 45  1  0  0  0  0
 22 46  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2025-09-24, 479👍, 0💬