Molecule FYI-1001464

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A

Molecule Summary:

ID: FYI-1001464
SMILES: CN1C(=O)CN=C(c2ccccc2)c2cc(Cl)ccc21

Received at FYIcenter.com on: 2022-07-31

Molecule ID: FYI-1001464 Edit

Molecule Structure SMILES String: CN1C(=O)CN=C(c2ccccc2)c2cc(Cl)ccc21

Download SDF Download SVG Structure in 2D SDF:

FYI-1001464
FYIcenter.com

 20 22  0  0  0  0  0  0  0  0999 V2000
    7.7640    1.6593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7376    2.6114    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1503    3.9492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5347    4.1580    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3617    5.1061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9656    5.2106    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0134    4.1843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6755    4.5970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3640    5.9619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0262    6.3746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.4223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3115    4.0575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6493    3.6447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2221    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0096    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0096    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7972    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.2221    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4345    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4345    2.1000    0.0000 C   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  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 13  8  1  0  0  0  0
 14  7  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
 19 18  1  0  0  0  0
 20 19  2  0  0  0  0
 20 14  1  0  0  0  0
 20  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001464-3D
FYIcenter.com

 33 35  0  0  0  0  0  0  0  0999 V2000
    0.9102   -0.0896   -0.1077 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3664   -0.0716   -0.0282 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0307   -1.2969   -0.1466 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4341   -2.3680   -0.2828 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5515   -1.2520   -0.1895 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0558   -0.9489    1.1464 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8703    0.2379    1.6167 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3509    0.4928    3.0171 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4772   -0.1998    3.4805 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9475    0.0105    4.7773 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2921    0.9082    5.6187 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1606    1.5888    5.1698 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6833    1.3768    3.8735 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2308    1.3501    0.8518 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8509    2.6135    0.9249 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2641    3.7225    0.3254 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0108    5.2653    0.4545 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.0686    3.5879   -0.3649 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4577    2.3341   -0.4574 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0300    1.1869    0.1307 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5073   -1.1037   -0.0323 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5827    0.3238   -1.0657 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4970    0.4947    0.7216 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9117   -0.5601   -0.9564 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9111   -2.2469   -0.4758 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9896   -0.9089    2.8338 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8208   -0.5315    5.1307 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6573    1.0681    6.6302 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6439    2.2768    5.8341 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7835    1.8968    3.5578 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7892    2.7381    1.4627 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6088    4.4489   -0.8459 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5452    2.2717   -1.0453 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 21  1  0  0  0  0
  1 22  1  0  0  0  0
  1 23  1  0  0  0  0
  2  3  1  0  0  0  0
  2 20  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 24  1  0  0  0  0
  5 25  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7 14  1  0  0  0  0
  8  9  1  0  0  0  0
  8 13  2  0  0  0  0
  9 10  2  0  0  0  0
  9 26  1  0  0  0  0
 10 11  1  0  0  0  0
 10 27  1  0  0  0  0
 11 12  2  0  0  0  0
 11 28  1  0  0  0  0
 12 13  1  0  0  0  0
 12 29  1  0  0  0  0
 13 30  1  0  0  0  0
 14 15  1  0  0  0  0
 14 20  2  0  0  0  0
 15 16  2  0  0  0  0
 15 31  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 32  1  0  0  0  0
 19 20  1  0  0  0  0
 19 33  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-08-27, 1821👍, 0💬