Molecule FYI-1014160

A

Molecule Summary:

ID: FYI-1014160
Names:
InChIKey: VENXRGUKIOOEQP-BHGWPJFGSA-N
SMILES: O=C(O)c3ccc(/C=N/NC(=O)c2ccc(c1ccc(C(F)(F)F)cc1)cc2)o3

Received at FYIcenter.com on: 2025-03-06

Molecule ID: FYI-1014160 Edit

Molecule Structure InChIKey: VENXRGUKIOOEQP-BHGWPJFGSA-N

Molecule Structure SMILES String: O=C(O)c3ccc(/C=N/NC(=O)c2ccc(c1ccc(C(F)(F)F)cc1)cc2)o3

Download SDF Download SVG Structure in 2D SDF:

FYI-1014160
FYIcenter.com

 29 31  0  0  0  0  0  0  0  0999 V2000
   11.7058    1.6831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4932    2.3831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4932    3.7831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7058    4.4831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9181    3.7831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9181    2.3831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2808    1.6832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0684    2.3832    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8559    1.6833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6435    2.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4310    1.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1521    2.2528    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2153    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9152    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2846    0.2910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8229    1.3589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2536    2.6378    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.2263    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2807    0.2832    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1306    4.4831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3430    3.7831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5554    4.4832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5554    5.8832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3430    6.5831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1305    5.8831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7678    6.5832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.9803    5.8832    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   17.7678    7.9832    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   19.0082    7.2325    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 11 15  2  0  0  0  0
 11 12  1  0  0  0  0
 13 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
  7 19  2  0  0  0  0
  5 20  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 20 25  1  0  0  0  0
 20 21  2  0  0  0  0
 23 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 26 29  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014160-3D
FYIcenter.com

 42 44  0  0  0  0  0  0  0  0999 V2000
    0.7592    0.0369    0.1105 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7978    0.6894    0.0843 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2720    1.2447   -1.0578 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6505    0.9650    1.2239 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5370    0.5065    2.5217 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5938    1.0787    3.2542 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3031    1.8884    2.3861 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4350    2.7488    2.6615 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8755    2.8119    3.8798 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9292    3.6301    4.1928 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3622    3.6446    5.5211 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8658    2.9633    6.4170 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5124    4.5307    5.8707 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8012    5.7129    5.1894 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8670    6.5278    5.6105 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6673    6.1882    6.7165 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8019    7.0402    7.1637 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8049    8.4344    6.9831 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8802    9.2256    7.4080 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9902    8.6464    8.0342 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1616    9.4807    8.4879 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0244   10.8070    8.2094 F   0  0  0  0  0  0  0  0  0  0  0  0
   15.3707    9.4001    9.8310 F   0  0  0  0  0  0  0  0  0  0  0  0
   16.3312    9.0972    7.9041 F   0  0  0  0  0  0  0  0  0  0  0  0
   13.9978    7.2628    8.2341 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9258    6.4777    7.7987 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3466    5.0050    7.3983 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2903    4.1878    6.9838 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7494    1.8036    1.1236 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1257    1.6908   -0.8950 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7638   -0.1580    2.8819 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8112    0.9529    4.3062 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8765    3.3327    1.8353 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4095    4.1426    3.4651 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1924    6.0480    4.3568 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0605    7.4424    5.0531 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9584    8.9350    6.5179 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8392   10.3023    7.2489 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.8410    6.7814    8.7276 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9898    5.4036    7.9590 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9024    4.7045    8.2847 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0689    3.2863    7.5540 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  4  1  0  0  0  0
  3 30  1  0  0  0  0
  4  5  2  0  0  0  0
  4 29  1  0  0  0  0
  5  6  1  0  0  0  0
  5 31  1  0  0  0  0
  6  7  2  0  0  0  0
  6 32  1  0  0  0  0
  7  8  1  0  0  0  0
  7 29  1  0  0  0  0
  8  9  2  0  0  0  0
  8 33  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 34  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 28  2  0  0  0  0
 14 15  2  0  0  0  0
 14 35  1  0  0  0  0
 15 16  1  0  0  0  0
 15 36  1  0  0  0  0
 16 17  1  0  0  0  0
 16 27  2  0  0  0  0
 17 18  1  0  0  0  0
 17 26  2  0  0  0  0
 18 19  2  0  0  0  0
 18 37  1  0  0  0  0
 19 20  1  0  0  0  0
 19 38  1  0  0  0  0
 20 21  1  0  0  0  0
 20 25  2  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 21 24  1  0  0  0  0
 25 26  1  0  0  0  0
 25 39  1  0  0  0  0
 26 40  1  0  0  0  0
 27 28  1  0  0  0  0
 27 41  1  0  0  0  0
 28 42  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2025-04-26, 1525👍, 0💬