Molecule FYI-1009391

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A

Molecule Summary:

ID: FYI-1009391
Names:
InChIKey: ZMXKBLFGRZAAFR-UHFFFAOYSA-N
SMILES: CC(=O)NC2C=CC=C1NC(=O)NC12

Received at FYIcenter.com on: 2024-05-09

Molecule ID: FYI-1009391 Edit

Molecule Structure InChIKey: ZMXKBLFGRZAAFR-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(=O)NC2C=CC=C1NC(=O)NC12

Download SDF Download SVG Structure in 2D SDF:

FYI-1009391
FYIcenter.com

 14 15  0  0  0  0  0  0  0  0999 V2000
    6.0622    5.5282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.8282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    3.4282    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.5282    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.8282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    5.5282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.8282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.4282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.7282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5035    1.3588    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8958    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5958    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4653    2.4914    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.4282    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  2  1  0  0  0  0
  5  4  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  1  0  0  0  0
 12 11  2  0  0  0  0
 13 11  1  0  0  0  0
 14 13  1  0  0  0  0
 14  5  1  0  0  0  0
 14  9  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1009391-3D
FYIcenter.com

 25 26  0  0  1  0  0  0  0  0999 V2000
    0.7747    0.3006    1.2890 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2457    0.0134    1.4236 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6743   -1.0180    1.9292 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0533    0.9788    0.8661 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4983    0.7709    0.7352 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.0248    2.0509    0.1074 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7789    2.0843   -1.0076 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2680    0.8752   -1.6376 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8523   -0.3065   -1.1763 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3930   -1.5335   -1.4227 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0510   -2.4126   -0.3949 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3799   -3.5797   -0.2971 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2843   -1.6825    0.5217 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7968   -0.4876   -0.1224 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.2505   -0.0830    2.1679 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3926   -0.1895    0.3890 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5876    1.3759    1.2188 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6186    1.6522    0.2479 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9074    0.6593    1.7467 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7690    2.9871    0.5996 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1331    3.0324   -1.4055 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0643    0.9601   -2.3681 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0876   -1.7698   -2.1145 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7527   -2.1757    1.2296 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8797   -0.8002   -0.6414 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  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  1  0  0  0  0
  5 19  1  0  0  0  0
  6  7  2  0  0  0  0
  6 20  1  0  0  0  0
  7  8  1  0  0  0  0
  7 21  1  0  0  0  0
  8  9  2  0  0  0  0
  8 22  1  0  0  0  0
  9 10  1  0  0  0  0
  9 14  1  0  0  0  0
 10 11  1  0  0  0  0
 10 23  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 24  1  0  0  0  0
 14 25  1  0  0  0  0
M  END
$$$$

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2024-05-15, 165👍, 0💬