Molecule FYI-1005868

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A

Molecule Summary:

ID: FYI-1005868
Names:
InChIKey: HFZRDXVNQAFPSV-UHFFFAOYSA-N
SMILES: CN1C(=O)NCC1C(=O)NCc2cccc(Cl)c2Cl

Received at FYIcenter.com on: 2023-11-17

Molecule ID: FYI-1005868 Edit

Molecule Structure InChIKey: HFZRDXVNQAFPSV-UHFFFAOYSA-N

Molecule Structure SMILES String: CN1C(=O)NCC1C(=O)NCc2cccc(Cl)c2Cl

Download SDF Download SVG Structure in 2D SDF:

FYI-1005868
FYIcenter.com

 19 20  0  0  0  0  0  0  0  0999 V2000
    6.3805    1.1709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4209    2.1076    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7904    1.8165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3598    0.5376    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4904    3.0290    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5536    4.0694    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
    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 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    3.5000    0.0000 N   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
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    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
    1.2125    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.0000    0.0000 Cl  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
    3.6373    1.4000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  5  3  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  7  2  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  8  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 16  2  0  0  0  0
 18 12  1  0  0  0  0
 19 18  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005868-3D
FYIcenter.com

 32 33  0     1  0  0  0  0  0999 V2000
   -2.7740    1.7038   -1.6395 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -4.9416   -0.6612   -1.8169 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.3659    0.1055    1.4328 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9923   -1.4263    0.2310 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5293    0.3950   -0.1118 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0512   -1.5889   -1.0722 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1152    1.4299   -0.0166 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2342    0.5820   -0.7379 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.0408   -0.6832   -1.5652 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2131    0.6725    0.3541 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9832   -0.9294   -0.2512 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2059    1.4453    0.6219 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0204    1.6522    0.8491 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0539    0.5724    0.7085 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9075    0.5049   -0.3927 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1456   -0.3821    1.7216 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8529   -0.5171   -0.4808 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0908   -1.4039    1.6335 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9445   -1.4715    0.5325 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2478    1.4844   -1.3577 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0549   -1.1463   -1.4654 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2527   -0.5048   -2.6242 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1386   -2.5591   -1.3577 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3431    2.3040   -0.0402 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1803    1.0932    0.9702 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6000    1.7366    1.4833 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0795    1.8317   -0.9489 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4401    2.6382    0.6218 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6606    1.7109    1.8838 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4878   -0.3467    2.5859 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1617   -2.1474    2.4220 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6749   -2.2750    0.4806 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  1  0  0  0  0
  2 17  1  0  0  0  0
  3 10  2  0  0  0  0
  4 11  2  0  0  0  0
  5  8  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6  9  1  0  0  0  0
  6 11  1  0  0  0  0
  6 23  1  0  0  0  0
  7 10  1  0  0  0  0
  7 13  1  0  0  0  0
  7 27  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 20  1  0  0  0  0
  9 21  1  0  0  0  0
  9 22  1  0  0  0  0
 12 24  1  0  0  0  0
 12 25  1  0  0  0  0
 12 26  1  0  0  0  0
 13 14  1  0  0  0  0
 13 28  1  0  0  0  0
 13 29  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  2  0  0  0  0
 16 30  1  0  0  0  0
 17 19  2  0  0  0  0
 18 19  1  0  0  0  0
 18 31  1  0  0  0  0
 19 32  1  0  0  0  0
M  END
$$$$

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2023-11-25, 1429👍, 0💬