Molecule FYI-1016657

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Molecule Summary:

ID: FYI-1016657
Names:
InChIKey: FBMQNRKSAWNXBT-UHFFFAOYSA-N
SMILES: Nc2ccc(N)c3c(=O)c1ccccc1c(=O)c23

Received at FYIcenter.com on: 2026-02-06

Molecule ID: FYI-1016657 Edit

Molecule Structure InChIKey: FBMQNRKSAWNXBT-UHFFFAOYSA-N

Molecule Structure SMILES String: Nc2ccc(N)c3c(=O)c1ccccc1c(=O)c23

Download SDF Download SVG Structure in 2D SDF:

FYI-1016657
FYIcenter.com

 18 20  0  0  0  0  0  0  0  0999 V2000
    0.0000    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2126    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2126    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    7.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2126    2.1000    0.0000 O   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  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
  7  2  1  0  0  0  0
  8  5  1  0  0  0  0
  9  4  1  0  0  0  0
 10  9  2  0  0  0  0
 11  9  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
 17 16  1  0  0  0  0
 17  3  1  0  0  0  0
 18 17  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016657-3D
FYIcenter.com

 28 30  0     0  0  0  0  0  0999 V2000
   -0.3205    2.6714   -0.0021 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3205   -2.6713    0.0023 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2858    2.8080    0.0016 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2856   -2.8081   -0.0008 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9923    0.6982    0.0006 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9924   -0.6982   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5538    0.6982    0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5538   -0.6981    0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2807    1.4475    0.0011 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2807   -1.4474    0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2058    1.3964    0.0005 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2057   -1.3965   -0.0011 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4128    0.6967   -0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4128   -0.6968   -0.0012 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7673    1.3965    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7673   -1.3965   -0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9744    0.6967   -0.0006 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9743   -0.6967   -0.0007 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3639    1.2239   -0.0002 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3638   -1.2240   -0.0016 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7970    2.4828    0.0003 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7969   -2.4827   -0.0003 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9155    1.2390   -0.0009 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9155   -1.2391   -0.0011 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1902    3.2615    0.0009 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4494    3.3740    0.0017 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1899   -3.2617   -0.0032 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4491   -3.3740   -0.0030 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  2  0  0  0  0
  2 10  2  0  0  0  0
  3 11  1  0  0  0  0
  3 25  1  0  0  0  0
  3 26  1  0  0  0  0
  4 12  1  0  0  0  0
  4 27  1  0  0  0  0
  4 28  1  0  0  0  0
  5  6  1  0  0  0  0
  5  9  1  0  0  0  0
  5 11  2  0  0  0  0
  6 10  1  0  0  0  0
  6 12  2  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 15  2  0  0  0  0
  8 10  1  0  0  0  0
  8 16  2  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 14  2  0  0  0  0
 13 19  1  0  0  0  0
 14 20  1  0  0  0  0
 15 17  1  0  0  0  0
 15 21  1  0  0  0  0
 16 18  1  0  0  0  0
 16 22  1  0  0  0  0
 17 18  2  0  0  0  0
 17 23  1  0  0  0  0
 18 24  1  0  0  0  0
M  END
$$$$

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2026-03-22, 473👍, 0💬