Molecule FYI-1008509

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A

Molecule Summary:

ID: FYI-1008509
Names:
InChIKey: RCJOSDUJLPCGTF-UHFFFAOYSA-N
SMILES: C=CCNc1ccccc1C(=O)NCC

Received at FYIcenter.com on: 2024-04-28

Molecule ID: FYI-1008509 Edit

Molecule Structure InChIKey: RCJOSDUJLPCGTF-UHFFFAOYSA-N

Molecule Structure SMILES String: C=CCNc1ccccc1C(=O)NCC

Download SDF Download SVG Structure in 2D SDF:

FYI-1008509
FYIcenter.com

 15 15  0  0  0  0  0  0  0  0999 V2000
    7.2746    2.1000    0.0000 C   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
    4.8498    2.1000    0.0000 N   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
    3.6373    4.2000    0.0000 O   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
    3.6373    0.0000    0.0000 N   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
    6.0622    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.7000    0.0000 C   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  2  0  0  0  0
  6  4  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
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 11  6  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1008509-3D
FYIcenter.com

 31 31  0     0  0  0  0  0  0999 V2000
   -0.6432   -2.3075    1.2960 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8153    0.9238   -0.0730 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3577   -1.9798   -0.7699 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5954    0.8480   -0.0556 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2449   -0.3749    0.1121 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4961   -1.6148    0.2755 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3396    2.0177   -0.2085 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6386   -0.4281    0.1271 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5226    2.1539   -0.2413 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1478   -3.1900   -0.7673 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3829    0.7417   -0.0258 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7335    1.9646   -0.1935 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4025   -3.0313    0.0663 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9909    1.8738   -0.2164 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8372    2.4031    0.6743 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3326    0.0623    0.0617 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1584   -1.3743    0.2551 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8796    2.9918   -0.3430 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2839    2.6120   -1.2084 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2608    2.8655    0.5511 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5364   -4.0097   -0.3759 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4064   -3.4162   -1.8064 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4270   -1.3736   -1.5824 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4681    0.7003   -0.0146 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3136    2.8751   -0.3129 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0191   -2.2073   -0.3085 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1616   -2.8155    1.1123 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9995   -3.9479    0.0361 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3907    1.2120   -0.9812 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8949    2.1664    0.6343 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4953    3.0753    1.4534 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  2  0  0  0  0
  2  4  1  0  0  0  0
  2  9  1  0  0  0  0
  2 16  1  0  0  0  0
  3  6  1  0  0  0  0
  3 10  1  0  0  0  0
  3 23  1  0  0  0  0
  4  5  1  0  0  0  0
  4  7  2  0  0  0  0
  5  6  1  0  0  0  0
  5  8  2  0  0  0  0
  7 12  1  0  0  0  0
  7 18  1  0  0  0  0
  8 11  1  0  0  0  0
  8 17  1  0  0  0  0
  9 14  1  0  0  0  0
  9 19  1  0  0  0  0
  9 20  1  0  0  0  0
 10 13  1  0  0  0  0
 10 21  1  0  0  0  0
 10 22  1  0  0  0  0
 11 12  2  0  0  0  0
 11 24  1  0  0  0  0
 12 25  1  0  0  0  0
 13 26  1  0  0  0  0
 13 27  1  0  0  0  0
 13 28  1  0  0  0  0
 14 15  2  0  0  0  0
 14 29  1  0  0  0  0
 15 30  1  0  0  0  0
 15 31  1  0  0  0  0
M  END
$$$$

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2024-06-03, 1167👍, 0💬