Molecule FYI-1001748

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A

Molecule Summary:

ID: FYI-1001748
SMILES: Nc1ccc2C(=O)NC(=O)c2c1

Received at FYIcenter.com on: 2022-11-20

Molecule ID: FYI-1001748 Edit

Molecule Structure SMILES String: Nc1ccc2C(=O)NC(=O)c2c1

Download SDF Download SVG Structure in 2D SDF:

FYI-1001748
FYIcenter.com

 18 19  0  0  0  0  0  0  0  0999 V2000
    2.5369    1.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0812   -0.8047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3919   -1.7553    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6648    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0812    0.8047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3919    1.7553    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    1.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2848   -0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.6200    0.0000 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
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  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
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
  5 11  2  0  0  0  0
 11 12  1  0  0  0  0
  2 12  2  0  0  0  0
  1 13  1  0  0  0  0
  1 14  1  0  0  0  0
  3 15  1  0  0  0  0
  4 16  1  0  0  0  0
  8 17  1  0  0  0  0
 12 18  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001748-3D
FYIcenter.com

 18 19  0  0  0  0  0  0  0  0999 V2000
    1.1782   -0.0869    0.1925 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5608   -0.0238   -0.0132 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3292   -1.2122    0.0069 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7301   -1.1840   -0.0262 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3309    0.0565   -0.0436 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7434    0.4377   -0.0398 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6828   -0.3331   -0.0396 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7731    1.7980   -0.0299 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5260    2.3434   -0.0209 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2217    3.5184   -0.0105 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5871    1.2232   -0.0293 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2071    1.2173    0.0052 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7378   -0.9467   -0.1198 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6674    0.7400   -0.1036 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8270   -2.1766    0.0590 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3186   -2.0953   -0.0135 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6209    2.3415   -0.0182 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6558    2.1502    0.0556 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 13  1  0  0  0  0
  1 14  1  0  0  0  0
  2  3  1  0  0  0  0
  2 12  2  0  0  0  0
  3  4  2  0  0  0  0
  3 15  1  0  0  0  0
  4  5  1  0  0  0  0
  4 16  1  0  0  0  0
  5  6  1  0  0  0  0
  5 11  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 17  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 18  1  0  0  0  0
M  END
$$$$

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2022-12-14, 931👍, 0💬