Molecule FYI-1002538

A

Molecule Summary:

ID: FYI-1002538
Names:
InChIKey: RYFSRCFYMDPXLO-HYARGMPZSA-N
SMILES: O=C(Nc1ccccc1)c2ccccc2/N=C/c3ccc(F)cc3

Received at FYIcenter.com on: 2023-04-10

Molecule ID: FYI-1002538 Edit

Molecule Structure InChIKey: RYFSRCFYMDPXLO-HYARGMPZSA-N

Molecule Structure SMILES String: O=C(Nc1ccccc1)c2ccccc2/N=C/c3ccc(F)cc3

Download SDF Download SVG Structure in 2D SDF:

FYI-1002538
FYIcenter.com

 24 26  0  0  0  0  0  0  0  0999 V2000
    8.4871    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.4000    0.0000 O   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
    1.2125    4.2000    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
    3.6373    4.2000    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
    4.8498    2.1000    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
    6.0622    0.0000    0.0000 C   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
    7.2747    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
    8.4871    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  6  1  1  0  0  0  0
  7  4  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  8  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 15 10  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 20 19  1  0  0  0  0
 21 20  2  0  0  0  0
 22 21  1  0  0  0  0
 23 22  2  0  0  0  0
 23 18  1  0  0  0  0
 24 21  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002538-3D
FYIcenter.com

 39 41  0  0  0  0  0  0  0  0999 V2000
    1.1840    0.2776    0.6251 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2046    0.0629   -0.0255 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6208   -1.1820   -0.4532 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9318   -2.4008   -0.2804 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5907   -2.4830    0.1064 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0326   -3.7231    0.2728 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6817   -4.8969    0.0563 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0152   -4.8291   -0.3399 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6355   -3.5868   -0.5172 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0949    1.2282   -0.3395 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7037    2.4592    0.2374 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4366    3.6259    0.0359 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5927    3.5779   -0.7251 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0053    2.3656   -1.2836 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2559    1.1759   -1.1405 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7132   -0.0271   -1.7561 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1664    0.0708   -2.9705 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7528   -1.0535   -3.7295 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6841   -2.3724   -3.2725 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2482   -3.3984   -4.0346 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8880   -3.0962   -5.2337 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4314   -4.0818   -5.9595 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.9744   -1.7858   -5.6895 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4022   -0.7587   -4.9371 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5450   -1.2123   -0.8810 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0078   -1.5928    0.2715 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0761   -3.7630    0.5744 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1996   -5.8601    0.1974 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5777   -5.7442   -0.5039 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6790   -3.5629   -0.8075 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8105    2.5121    0.8604 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1080    4.5603    0.4847 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1809    4.4785   -0.8814 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9369    2.3604   -1.8445 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1569    1.0344   -3.5137 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1927   -2.6059   -2.3341 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1952   -4.4310   -3.7036 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4855   -1.5737   -6.6239 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4783    0.2644   -5.2966 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2 10  1  0  0  0  0
  3  4  1  0  0  0  0
  3 25  1  0  0  0  0
  4  5  1  0  0  0  0
  4  9  2  0  0  0  0
  5  6  2  0  0  0  0
  5 26  1  0  0  0  0
  6  7  1  0  0  0  0
  6 27  1  0  0  0  0
  7  8  2  0  0  0  0
  7 28  1  0  0  0  0
  8  9  1  0  0  0  0
  8 29  1  0  0  0  0
  9 30  1  0  0  0  0
 10 11  1  0  0  0  0
 10 15  2  0  0  0  0
 11 12  2  0  0  0  0
 11 31  1  0  0  0  0
 12 13  1  0  0  0  0
 12 32  1  0  0  0  0
 13 14  2  0  0  0  0
 13 33  1  0  0  0  0
 14 15  1  0  0  0  0
 14 34  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 17 35  1  0  0  0  0
 18 19  1  0  0  0  0
 18 24  2  0  0  0  0
 19 20  2  0  0  0  0
 19 36  1  0  0  0  0
 20 21  1  0  0  0  0
 20 37  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  2  0  0  0  0
 23 24  1  0  0  0  0
 23 38  1  0  0  0  0
 24 39  1  0  0  0  0
M  END
$$$$

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2023-04-13, 1752👍, 0💬