Molecule FYI-1007600

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A

Molecule Summary:

ID: FYI-1007600
Names:
InChIKey: UNHBFSPRQFHNLA-UHFFFAOYSA-N
SMILES: C=c2c(=O)c1ccc(F)cc1c2=C(C#N)C#N

Received at FYIcenter.com on: 2024-03-05

Molecule ID: FYI-1007600 Edit

Molecule Structure InChIKey: UNHBFSPRQFHNLA-UHFFFAOYSA-N

Molecule Structure SMILES String: C=c2c(=O)c1ccc(F)cc1c2=C(C#N)C#N

Download SDF Download SVG Structure in 2D SDF:

FYI-1007600
FYIcenter.com

 19 20  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.9696    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4095    3.9696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2379    2.8294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9449    1.4506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9923    0.5076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3329    0.9431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3803    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.6259    2.3218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5785    3.2649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5784    4.6743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7187    5.5029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5714    6.9046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4241    8.3063    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0064    4.9296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2940    4.3563    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2380    5.1099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8055    6.4414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7423    7.4818    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4361    6.7326    0.0000 H   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  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  6  2  0  0  0  0
  9  3  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 13 12  3  0  0  0  0
 14 11  1  0  0  0  0
 15 14  3  0  0  0  0
 16  2  1  0  0  0  0
 16 10  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007600-3D
FYIcenter.com

 22 23  0  0  0  0  0  0  0  0999 V2000
    1.2042    0.3471    0.0346 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4985    0.0201    0.0351 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5385    1.1105    0.0344 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3580    2.3122    0.0339 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8425    0.4269    0.0349 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0933    1.0361    0.0363 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2174    0.2108    0.0367 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0590   -1.1762    0.0350 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1427   -1.9626    0.0351 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.7978   -1.7726    0.0335 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6650   -0.9680    0.0344 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2008   -1.2796    0.0356 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6526   -2.5212    0.0384 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2489   -2.7572    0.0408 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1096   -2.9788    0.0428 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4243   -3.7187    0.0389 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0430   -4.6997    0.0385 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8901    1.3896    0.0342 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3890   -0.3648    0.0350 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1948    2.1175    0.0373 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2209    0.6258    0.0385 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7771   -2.8532    0.0321 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1 18  1  0  0  0  0
  1 19  1  0  0  0  0
  2  3  1  0  0  0  0
  2 12  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 11  2  0  0  0  0
  6  7  2  0  0  0  0
  6 20  1  0  0  0  0
  7  8  1  0  0  0  0
  7 21  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 22  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 16  1  0  0  0  0
 14 15  3  0  0  0  0
 16 17  3  0  0  0  0
M  END
$$$$

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2024-03-17, 177👍, 0💬