Molecule FYI-1004786

A

Molecule Summary:

ID: FYI-1004786
Names:
InChIKey: HQYLURGLNKLOQJ-XHDPSFHLSA-N
SMILES: C[C@H](OC(=O)N[C@@H]1CN2CCC1CC2)c3ccccc3F

Received at FYIcenter.com on: 2023-09-25

Molecule ID: FYI-1004786 Edit

Molecule Structure InChIKey: HQYLURGLNKLOQJ-XHDPSFHLSA-N

Molecule Structure SMILES String: C[C@H](OC(=O)N[C@@H]1CN2CCC1CC2)c3ccccc3F

Download SDF Download SVG Structure in 2D SDF:

FYI-1004786
FYIcenter.com

 21 23  0  0  1  0  0  0  0  0999 V2000
    7.9583    4.5947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8214    3.9383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8214    2.6255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6845    1.9692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6845    0.6564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8214    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9583    0.6564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9583    1.9692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0952    2.6255    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.6845    4.5947    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5477    2.6255    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.1041    3.9791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2551    4.4718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.9383    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.6255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8312    4.9419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7054    5.5793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
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  4  3  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
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  8  3  1  0  0  0  0
  9  8  1  0  0  0  0
  2 10  1  1  0  0  0
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 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
 21 16  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004786-3D
FYIcenter.com

 42 44  0     1  0  0  0  0  0999 V2000
    3.3452   -0.2416    2.1142 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.9462   -1.7178   -0.4263 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5156   -0.2658    1.3002 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7239   -0.3755   -0.0110 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1761   -1.0703   -0.0692 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5199    1.0064   -0.0670 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2871   -0.3886    0.5469 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.1126    0.8448   -1.4780 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5879    1.7023    0.7938 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5895   -1.2090    0.4507 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4405    0.0752   -1.3910 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8407    0.8125    0.8635 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1313   -0.9518    0.3589 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3389   -1.6906   -0.0940 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.8497   -0.2739   -0.2070 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0998   -2.6474   -1.0051 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3285    0.3709    0.9221 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8307    0.3545   -1.4419 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8009    1.6787    0.8136 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3032    1.6625   -1.5506 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7882    2.3245   -0.4227 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5982    1.5972   -0.0988 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.2639    0.7049   -1.7509 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4156   -0.7889   -2.0665 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0171    0.4928    1.8983 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7265    1.3948    0.5809 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3499   -1.6346   -0.8957 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4469   -2.0667    0.9317 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1765   -2.6209   -0.8085 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9319   -2.4285   -2.0651 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7443   -3.6722   -0.8489 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4464   -0.1412   -2.3283 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1782    2.1941    1.6918 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2909    2.1665   -2.5125 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1553    3.3432   -0.5070 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 17  1  0  0  0  0
  2 13  1  0  0  0  0
  2 14  1  0  0  0  0
  3 13  2  0  0  0  0
  4 10  1  0  0  0  0
  4 11  1  0  0  0  0
  4 12  1  0  0  0  0
  5  7  1  0  0  0  0
  5 13  1  0  0  0  0
  5 34  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  6 22  1  0  0  0  0
  7 10  1  0  0  0  0
  7 23  1  0  0  0  0
  8 11  1  0  0  0  0
  8 24  1  0  0  0  0
  8 25  1  0  0  0  0
  9 12  1  0  0  0  0
  9 26  1  0  0  0  0
  9 27  1  0  0  0  0
 10 28  1  0  0  0  0
 10 29  1  0  0  0  0
 11 30  1  0  0  0  0
 11 31  1  0  0  0  0
 12 32  1  0  0  0  0
 12 33  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 35  1  0  0  0  0
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 15 18  2  0  0  0  0
 16 36  1  0  0  0  0
 16 37  1  0  0  0  0
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 17 19  2  0  0  0  0
 18 20  1  0  0  0  0
 18 39  1  0  0  0  0
 19 21  1  0  0  0  0
 19 40  1  0  0  0  0
 20 21  2  0  0  0  0
 20 41  1  0  0  0  0
 21 42  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-10-11, 491👍, 0💬