Molecule FYI-1006219

A

Molecule Summary:

ID: FYI-1006219
Names:
InChIKey: ZWORVZFWUBWAEW-UHFFFAOYSA-N
SMILES: CCOC(=O)c2cc(N1CCCC(=O)C1)cc3cc(F)cnc23

Received at FYIcenter.com on: 2023-12-03

Molecule ID: FYI-1006219 Edit

Molecule Structure InChIKey: ZWORVZFWUBWAEW-UHFFFAOYSA-N

Molecule Structure SMILES String: CCOC(=O)c2cc(N1CCCC(=O)C1)cc3cc(F)cnc23

Download SDF Download SVG Structure in 2D SDF:

FYI-1006219
FYIcenter.com

 23 25  0  0  0  0  0  0  0  0999 V2000
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    3.5000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    8.4000    0.0000 O   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    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    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
    1.2124    1.4000    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
    1.2124    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  2 10  1  0  0  0  0
  1  7  1  0  0  0  0
  8 11  1  0  0  0  0
  3 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
  5 15  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 15 20  1  0  0  0  0
 15 16  1  0  0  0  0
 19 21  2  0  0  0  0
 14 22  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006219-3D
FYIcenter.com

 40 42  0  0  0  0  0  0  0  0999 V2000
    6.3632    1.1375    0.4726 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8627    1.0779    0.7342 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5650   -0.0499    1.5609 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5020   -1.2346    0.9168 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1949   -1.4064   -0.2541 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8750   -2.3424    1.8260 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2613   -3.5823    1.6025 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5429   -4.6839    2.4116 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8384   -5.8714    2.3091 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4609   -5.8665    1.8081 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6794   -6.9656    2.5301 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3430   -8.3296    2.3785 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8028   -8.2439    2.7652 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3328   -9.0837    3.4955 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5872   -7.1200    2.1057 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5039   -4.5080    3.4131 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1415   -3.2697    3.6310 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0807   -3.1137    4.6624 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6887   -1.8888    4.8672 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5849   -1.7236    5.8413 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.3556   -0.8480    4.0347 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4678   -0.9727    3.0303 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8330   -2.1562    2.8251 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6125    1.9962   -0.1554 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7114    0.2253   -0.0244 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9244    1.2181    1.4102 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3049    1.0333   -0.2036 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5506    1.9752    1.2745 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5531   -3.6802    0.7818 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4459   -6.0244    0.7232 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9631   -4.9112    2.0177 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6549   -7.0046    2.1446 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6153   -6.7146    3.5972 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2873   -8.6787    1.3420 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8417   -9.0640    3.0171 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6756   -7.3477    1.0356 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5928   -7.0966    2.5348 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7282   -5.3371    4.0862 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3372   -3.9373    5.3227 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8006    0.1336    4.1505 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 24  1  0  0  0  0
  1 25  1  0  0  0  0
  1 26  1  0  0  0  0
  2  3  1  0  0  0  0
  2 27  1  0  0  0  0
  2 28  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 23  2  0  0  0  0
  7  8  2  0  0  0  0
  7 29  1  0  0  0  0
  8  9  1  0  0  0  0
  8 16  1  0  0  0  0
  9 10  1  0  0  0  0
  9 15  1  0  0  0  0
 10 11  1  0  0  0  0
 10 30  1  0  0  0  0
 10 31  1  0  0  0  0
 11 12  1  0  0  0  0
 11 32  1  0  0  0  0
 11 33  1  0  0  0  0
 12 13  1  0  0  0  0
 12 34  1  0  0  0  0
 12 35  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 36  1  0  0  0  0
 15 37  1  0  0  0  0
 16 17  2  0  0  0  0
 16 38  1  0  0  0  0
 17 18  1  0  0  0  0
 17 23  1  0  0  0  0
 18 19  2  0  0  0  0
 18 39  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 40  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
$$$$

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2023-12-10, 309👍, 0💬