Molecule FYI-1013440

A

Molecule Summary:

ID: FYI-1013440
Names:
InChIKey: FNZMTKADERZJNV-UHFFFAOYSA-N
SMILES: O=C(CCc2nc1ccccc1s2)Nc3ccc(C(F)(F)F)cc3

Received at FYIcenter.com on: 2024-12-11

Molecule ID: FYI-1013440 Edit

Molecule Structure InChIKey: FNZMTKADERZJNV-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C(CCc2nc1ccccc1s2)Nc3ccc(C(F)(F)F)cc3

Download SDF Download SVG Structure in 2D SDF:

FYI-1013440
FYIcenter.com

 24 26  0  0  0  0  0  0  0  0999 V2000
    7.9531    4.9959    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9531    3.5959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1655    2.8959    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.3779    3.5959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5904    2.8959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8028    3.5959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8028    4.9959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0152    5.6959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3152    6.9083    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   15.2276    6.3959    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   14.7152    4.4835    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   11.5904    5.6959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3779    4.9959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7407    2.8959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5282    3.5959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3158    2.8959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0369    3.4653    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1695    1.5036    0.0000 S   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  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  8  1  0  0  0  0
 11  8  1  0  0  0  0
 12  7  1  0  0  0  0
 13 12  2  0  0  0  0
 13  4  1  0  0  0  0
 14  2  1  0  0  0  0
 15 14  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 23  1  0  0  0  0
 24 16  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1013440-3D
FYIcenter.com

 37 39  0     0  0  0  0  0  0999 V2000
    3.7404    0.3883    1.2239 S   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5327   -0.3879   -1.0642 F   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6270   -2.2660   -0.4473 F   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5597   -0.9788    1.0282 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.1042    3.4737   -0.9147 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1836    1.7488    0.6799 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7175    0.3174   -1.1427 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1484    2.6004   -0.3037 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0259    3.2950    0.4931 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1473    1.1249   -0.2014 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4036   -1.1629    0.5506 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8580   -0.9984   -0.7262 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6523    2.8664    0.0010 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0467    1.0772    0.4899 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6076   -2.4337    1.1117 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5049   -2.1482   -1.4652 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4731   -0.2476    0.1155 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9477    1.5310   -0.4735 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3590   -0.0389    1.2661 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1609    0.8687   -0.6607 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5722   -0.7012    1.0789 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2496   -3.5551    0.3593 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7053   -3.4165   -0.9127 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7695   -0.9566   -0.0858 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1157    3.0023    0.0230 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0486    2.8765   -1.3617 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1201    3.0910    1.5661 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1049    4.3815    0.3700 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7778    1.3553    1.4064 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0321   -2.5495    2.1043 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0784   -2.0514   -2.4596 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7773    2.3877   -1.1103 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6651   -0.4035    2.0192 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8497    1.2372   -1.4159 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8064   -1.5702    1.6880 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3992   -4.5481    0.7751 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4326   -4.3002   -1.4832 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1 11  1  0  0  0  0
  2 24  1  0  0  0  0
  3 24  1  0  0  0  0
  4 24  1  0  0  0  0
  5 13  2  0  0  0  0
  6 13  1  0  0  0  0
  6 14  1  0  0  0  0
  6 29  1  0  0  0  0
  7 10  2  0  0  0  0
  7 12  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 25  1  0  0  0  0
  8 26  1  0  0  0  0
  9 13  1  0  0  0  0
  9 27  1  0  0  0  0
  9 28  1  0  0  0  0
 11 12  1  0  0  0  0
 11 15  2  0  0  0  0
 12 16  2  0  0  0  0
 14 18  2  0  0  0  0
 14 19  1  0  0  0  0
 15 22  1  0  0  0  0
 15 30  1  0  0  0  0
 16 23  1  0  0  0  0
 16 31  1  0  0  0  0
 17 20  2  0  0  0  0
 17 21  1  0  0  0  0
 17 24  1  0  0  0  0
 18 20  1  0  0  0  0
 18 32  1  0  0  0  0
 19 21  2  0  0  0  0
 19 33  1  0  0  0  0
 20 34  1  0  0  0  0
 21 35  1  0  0  0  0
 22 23  2  0  0  0  0
 22 36  1  0  0  0  0
 23 37  1  0  0  0  0
M  END
$$$$

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2024-12-18, 1010👍, 0💬