Molecule FYI-1007217

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A

Molecule Summary:

ID: FYI-1007217
Names:
InChIKey: KLYXELPVYMKCTR-UHFFFAOYSA-N
SMILES: O=c1ccc2ncc(=O)n3CCn1c23

Received at FYIcenter.com on: 2024-02-07

Molecule ID: FYI-1007217 Edit

Molecule Structure InChIKey: KLYXELPVYMKCTR-UHFFFAOYSA-N

Molecule Structure SMILES String: O=c1ccc2ncc(=O)n3CCn1c23

Download SDF Download SVG Structure in 2D SDF:

FYI-1007217
FYIcenter.com

 14 16  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.0968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.4904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2070    4.1872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4138    3.4904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4138    2.0968    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2070    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7393    1.6662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5583    2.7936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7393    3.9210    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8236    5.3569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6962    6.1761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4230    5.6093    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0712    5.9920    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2071    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  6  1  1  0  0  0  0
  7  5  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
  9  4  1  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
 12  3  1  0  0  0  0
 10 13  2  0  0  0  0
  6 14  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007217-3D
FYIcenter.com

 21 23  0     0  0  0  0  0  0999 V2000
    3.4551   -0.7887   -0.0005 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4621   -0.7715   -0.0004 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1348   -0.7594    0.0003 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1295   -0.7937    0.0003 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2343    2.0064   -0.0001 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7908   -2.1890   -0.0012 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7516   -2.2111    0.0012 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0129   -0.0265    0.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0569    1.3027    0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3890   -0.1805    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3734   -0.2208   -0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2074    2.0050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3716    1.3280    0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3278    1.2991   -0.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2194   -2.6626    0.8878 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2163   -2.6594   -0.8933 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1674   -2.6952   -0.8880 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1644   -2.6926    0.8933 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2029    3.0897   -0.0001 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3263    1.8412    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3112    1.7958   -0.0009 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  2  0  0  0  0
  2 11  2  0  0  0  0
  3  6  1  0  0  0  0
  3  8  1  0  0  0  0
  3 10  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4 11  1  0  0  0  0
  5  9  1  0  0  0  0
  5 14  2  0  0  0  0
  6  7  1  0  0  0  0
  6 15  1  0  0  0  0
  6 16  1  0  0  0  0
  7 17  1  0  0  0  0
  7 18  1  0  0  0  0
  8  9  2  0  0  0  0
  9 12  1  0  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
 12 13  2  0  0  0  0
 12 19  1  0  0  0  0
 13 20  1  0  0  0  0
 14 21  1  0  0  0  0
M  END
$$$$

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2024-02-18, 892👍, 0💬