Molecule FYI-1014488

A

Molecule Summary:

ID: FYI-1014488
Names:
InChIKey: YMQCLGSKUYUIQE-UHFFFAOYSA-N
SMILES: O=C(Cn2c(O)nc1ccccc1c2=O)NCc3ccc(Cl)cc3Cl

Received at FYIcenter.com on: 2025-04-22

Molecule ID: FYI-1014488 Edit

Molecule Structure InChIKey: YMQCLGSKUYUIQE-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C(Cn2c(O)nc1ccccc1c2=O)NCc3ccc(Cl)cc3Cl

Download SDF Download SVG Structure in 2D SDF:

FYI-1014488
FYIcenter.com

 25 27  0  0  0  0  0  0  0  0999 V2000
    2.4249    5.9928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.3928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    8.0928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.3928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.9928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.2928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.8928    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.1928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.8928    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.2928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    5.9928    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.7928    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0371    3.9144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1036    3.0074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4842    3.2392    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3754    2.1595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7560    2.3914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7312    1.6578    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6472    1.3116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0279    1.5435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5174    2.8551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6262    3.9349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2456    3.7030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8980    3.0870    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   10.1577    0.0000    0.0000 Cl  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
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  1 10  1  0  0  0  0
  6  7  1  0  0  0  0
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  8 12  1  0  0  0  0
  9 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 14 18  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 17 23  1  0  0  0  0
 17 19  2  0  0  0  0
 21 24  1  0  0  0  0
 19 25  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014488-3D
FYIcenter.com

 38 40  0     0  0  0  0  0  0999 V2000
    4.4220    2.0801    1.7290 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.2529   -2.0017   -0.3422 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.1848    2.0085    0.2533 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4536   -2.4652    1.3960 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3446   -0.2867   -0.9611 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7615   -0.2115    0.8529 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4562   -1.8269    0.5244 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4618    1.2875    0.3332 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4162    0.1428    1.2916 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9109    0.4687   -0.0904 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3226   -0.8564    0.0121 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5513    0.8395    0.3477 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1678   -1.5595    0.9569 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4735    0.3464    0.0836 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4801    1.6424   -0.6292 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7825    1.4342   -0.6047 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6059   -1.2275   -0.3973 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6822    0.7482   -0.5308 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0645    1.0635   -1.0134 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4757   -0.2650   -0.9097 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6088    0.8787    0.5038 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8597   -0.2329   -1.5066 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7130    0.0282    0.5623 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9640   -1.0830   -1.4480 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8907   -0.9524   -0.4135 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0229   -0.6429    1.9141 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0419    1.5929   -1.6335 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5057    1.7343    1.2444 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4840    2.4750   -0.6946 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9382   -2.2596   -0.3220 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7434    1.8114   -1.4129 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4739   -0.5504   -1.2286 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1467   -0.3499   -2.3184 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4368    0.1284    1.3685 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0894   -1.8430   -2.2150 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 21  1  0  0  0  0
  2 25  1  0  0  0  0
  3 12  2  0  0  0  0
  4 13  2  0  0  0  0
  5 14  2  0  0  0  0
  6  9  1  0  0  0  0
  6 12  1  0  0  0  0
  6 13  1  0  0  0  0
  7 11  1  0  0  0  0
  7 13  1  0  0  0  0
  7 28  1  0  0  0  0
  8 14  1  0  0  0  0
  8 15  1  0  0  0  0
  8 31  1  0  0  0  0
  9 14  1  0  0  0  0
  9 26  1  0  0  0  0
  9 27  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 16  2  0  0  0  0
 11 17  2  0  0  0  0
 15 18  1  0  0  0  0
 15 29  1  0  0  0  0
 15 30  1  0  0  0  0
 16 19  1  0  0  0  0
 16 32  1  0  0  0  0
 17 20  1  0  0  0  0
 17 33  1  0  0  0  0
 18 21  2  0  0  0  0
 18 22  1  0  0  0  0
 19 20  2  0  0  0  0
 19 34  1  0  0  0  0
 20 35  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  2  0  0  0  0
 22 36  1  0  0  0  0
 23 25  2  0  0  0  0
 23 37  1  0  0  0  0
 24 25  1  0  0  0  0
 24 38  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2025-04-26, 1549👍, 0💬