Molecule FYI-1001737

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A

Molecule Summary:

ID: FYI-1001737
SMILES: Clc2ccc(C(=O)Cn1ccnc1)c(Cl)c2

Received at FYIcenter.com on: 2022-11-17

Molecule ID: FYI-1001737 Edit

Molecule Structure SMILES String: Clc2ccc(C(=O)Cn1ccnc1)c(Cl)c2

Download SDF Download SVG Structure in 2D SDF:

FYI-1001737
FYIcenter.com

 16 17  0  0  0  0  0  0  0  0999 V2000
    9.4905    4.4834    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.2779    3.7834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0655    4.4834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8531    3.7834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8531    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6407    1.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6407    0.2834    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4282    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2158    1.6834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9369    2.2527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0695    0.2911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0655    1.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0655    0.2834    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.2779    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  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  6  1  0  0  0  0
  9  8  1  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  9  1  0  0  0  0
 14  5  1  0  0  0  0
 15 14  1  0  0  0  0
 16 14  2  0  0  0  0
 16  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001737-3D
FYIcenter.com

 24 25  0  0  0  0  0  0  0  0999 V2000
   -2.8448    0.6792   -0.0306 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.3126   -0.0999   -0.0184 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1468   -1.3226   -0.6615 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0991   -1.9637   -0.6416 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1961   -1.3851    0.0204 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5239   -2.0857    0.0067 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5649   -1.4296    0.0173 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5867   -3.6037   -0.0032 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6921   -4.1849   -1.3294 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8638   -5.1282   -1.8826 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3991   -5.3936   -3.1237 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5508   -4.6642   -3.3138 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7092   -3.9626   -2.2161 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0114   -0.1389    0.6545 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2480    0.6939    1.5320 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.2410    0.4927    0.6375 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9835   -1.7786   -1.1871 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1864   -2.9025   -1.1816 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7239   -4.0368    0.5144 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4777   -3.9121    0.5523 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9953   -5.5248   -1.3825 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0386   -6.0823   -3.8766 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5371   -3.2930   -2.0152 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3788    1.4482    1.1403 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2 16  2  0  0  0  0
  3  4  2  0  0  0  0
  3 17  1  0  0  0  0
  4  5  1  0  0  0  0
  4 18  1  0  0  0  0
  5  6  1  0  0  0  0
  5 14  2  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 19  1  0  0  0  0
  8 20  1  0  0  0  0
  9 10  1  0  0  0  0
  9 13  1  0  0  0  0
 10 11  2  0  0  0  0
 10 21  1  0  0  0  0
 11 12  1  0  0  0  0
 11 22  1  0  0  0  0
 12 13  2  0  0  0  0
 13 23  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 16 24  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-12-14, 1034👍, 0💬