Molecule FYI-1008960

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A

Molecule Summary:

ID: FYI-1008960
Names:
InChIKey: LNWRHZQXMAQTLH-UHFFFAOYSA-N
SMILES: CCNC(=O)c1ccccc1N

Received at FYIcenter.com on: 2024-04-28

Molecule ID: FYI-1008960 Edit

Molecule Structure InChIKey: LNWRHZQXMAQTLH-UHFFFAOYSA-N

Molecule Structure SMILES String: CCNC(=O)c1ccccc1N

Download SDF Download SVG Structure in 2D SDF:

FYI-1008960
FYIcenter.com

 12 12  0  0  0  0  0  0  0  0999 V2000
    7.2747    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 O   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
    1.2125    2.8000    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
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 N   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  1  0  0  0  0
  5  4  2  0  0  0  0
  6  4  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
 11  6  1  0  0  0  0
 12 11  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1008960-3D
FYIcenter.com

 24 24  0     0  0  0  0  0  0999 V2000
    1.5262   -1.1361    0.5353 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8306    0.9933   -0.3307 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7601   -2.2812   -0.2548 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4028    0.1131    0.0690 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2639   -0.9689   -0.1139 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2751    0.9561   -0.3630 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0425   -0.0691    0.1222 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9204    1.4012    0.2052 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6426   -0.7628   -0.1605 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2992    1.6072    0.1586 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1603    0.5253   -0.0244 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7749   -0.3781    0.1570 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5915    1.1194   -1.3975 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6456    1.7839    0.2488 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3956    1.8253   -0.7147 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2898    2.2676    0.3828 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3252   -1.5969   -0.3021 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7033    2.6089    0.2723 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5494   -0.5441    1.2157 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4935   -1.2250   -0.4778 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8722   -0.3561    0.1119 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2340    0.6857   -0.0589 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2344   -2.4598   -0.2476 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4018   -3.0517   -0.3890 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  2  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  2 15  1  0  0  0  0
  3  5  1  0  0  0  0
  3 23  1  0  0  0  0
  3 24  1  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  2  0  0  0  0
  6 12  1  0  0  0  0
  6 13  1  0  0  0  0
  6 14  1  0  0  0  0
  8 10  1  0  0  0  0
  8 16  1  0  0  0  0
  9 11  1  0  0  0  0
  9 17  1  0  0  0  0
 10 11  2  0  0  0  0
 10 18  1  0  0  0  0
 11 22  1  0  0  0  0
 12 19  1  0  0  0  0
 12 20  1  0  0  0  0
 12 21  1  0  0  0  0
M  END
$$$$

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2024-05-29, 172👍, 0💬