Molecule FYI-1014265

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A

Molecule Summary:

ID: FYI-1014265
Names:
InChIKey: QAIADKFUCPEVKW-UHFFFAOYSA-N
SMILES: CC(=O)Nc2ccc(Nc1ccccc1)cc2

Received at FYIcenter.com on: 2025-03-18

Molecule ID: FYI-1014265 Edit

Molecule Structure InChIKey: QAIADKFUCPEVKW-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(=O)Nc2ccc(Nc1ccccc1)cc2

Download SDF Download SVG Structure in 2D SDF:

FYI-1014265
FYIcenter.com

 17 18  0  0  0  0  0  0  0  0999 V2000
    7.2747    6.3000    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
    6.0622    7.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    7.0000    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
    2.4249    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.9000    0.0000 C   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
    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
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  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  7  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 16 11  1  0  0  0  0
  1 17  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014265-3D
FYIcenter.com

 31 32  0     0  0  0  0  0  0999 V2000
    4.0099   -1.9571    0.4662 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6800    1.3023    0.1072 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8202    0.3091   -0.1561 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3348    1.0597    0.0430 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4489    0.5568   -0.0903 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7674    0.4075    0.0270 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5821    2.0707   -0.3355 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2024   -0.2140    0.3519 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9532    1.8231   -0.4012 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5735   -0.4616    0.2863 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9035    0.6193    0.8081 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7072   -0.6885   -0.8336 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9794   -0.2648    0.7283 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7831   -1.5726   -0.9134 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9193   -1.3608   -0.1324 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4975   -0.8870    0.1168 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9867   -0.7421   -0.0723 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9456    2.2636    0.2958 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2146    3.0649   -0.5826 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4415   -1.0268    0.6800 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6239    2.6261   -0.6964 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8831   -1.4636    0.5486 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9618    1.4694    1.4830 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8474   -0.8641   -1.4745 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3918    1.1028   -0.4382 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8642   -0.0999    1.3363 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7390   -2.4226   -1.5882 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7576   -2.0484   -0.1956 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2036   -0.4882   -1.1137 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4853   -1.6832    0.1757 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3695    0.0450    0.5835 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 16  2  0  0  0  0
  2  4  1  0  0  0  0
  2  6  1  0  0  0  0
  2 18  1  0  0  0  0
  3  5  1  0  0  0  0
  3 16  1  0  0  0  0
  3 25  1  0  0  0  0
  4  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  2  0  0  0  0
  6 12  1  0  0  0  0
  7  9  1  0  0  0  0
  7 19  1  0  0  0  0
  8 10  2  0  0  0  0
  8 20  1  0  0  0  0
  9 21  1  0  0  0  0
 10 22  1  0  0  0  0
 11 13  1  0  0  0  0
 11 23  1  0  0  0  0
 12 14  2  0  0  0  0
 12 24  1  0  0  0  0
 13 15  2  0  0  0  0
 13 26  1  0  0  0  0
 14 15  1  0  0  0  0
 14 27  1  0  0  0  0
 15 28  1  0  0  0  0
 16 17  1  0  0  0  0
 17 29  1  0  0  0  0
 17 30  1  0  0  0  0
 17 31  1  0  0  0  0
M  END
$$$$

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