Molecule FYI-1005564

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A

Molecule Summary:

ID: FYI-1005564
Names:
InChIKey: NPAGAYNIWAESAG-UHFFFAOYSA-N
SMILES: Cc1cc(=O)oc2cc(N)c(CCO)cc12

Received at FYIcenter.com on: 2023-11-06

Molecule ID: FYI-1005564 Edit

Molecule Structure InChIKey: NPAGAYNIWAESAG-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc1cc(=O)oc2cc(N)c(CCO)cc12

Download SDF Download SVG Structure in 2D SDF:

FYI-1005564
FYIcenter.com

 16 17  0  0  0  0  0  0  0  0999 V2000
    9.6995    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    4.2000    0.0000 C   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  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
  9  4  1  0  0  0  0
 10  9  1  0  0  0  0
 11  7  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 14 12  1  0  0  0  0
 15 14  2  0  0  0  0
 15  6  1  0  0  0  0
 16 15  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005564-3D
FYIcenter.com

 29 30  0  0  0  0  0  0  0  0999 V2000
    1.0138    0.0606   -0.1010 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5144    0.0548   -0.1290 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2162    1.1989   -0.1459 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6851    1.2494   -0.1812 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2756    2.3234   -0.1611 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3475    0.0368   -0.2539 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6410   -1.1782   -0.1858 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4121   -2.3390   -0.1592 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8079   -3.5859    0.0287 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6143   -4.7348   -0.0058 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3997   -3.6665    0.0518 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6512   -4.9710    0.2788 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7225   -6.0103   -0.8422 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9905   -6.6492   -0.9093 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6427   -2.4718   -0.0268 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2536   -1.2143   -0.1207 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6100    1.0790   -0.0813 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6374   -0.4524    0.7899 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6112   -0.4316   -0.9921 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7323    2.1723   -0.1286 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4932   -2.2584   -0.2404 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5825   -4.5557    0.2504 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2382   -5.5125    0.5410 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5892   -4.7402    0.4345 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0078   -5.4025    1.2221 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4861   -5.5830   -1.8211 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9925   -6.8000   -0.6336 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6226   -5.9639   -1.2160 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5591   -2.5418    0.0154 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 17  1  0  0  0  0
  1 18  1  0  0  0  0
  1 19  1  0  0  0  0
  2  3  2  0  0  0  0
  2 16  1  0  0  0  0
  3  4  1  0  0  0  0
  3 20  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 16  2  0  0  0  0
  8  9  2  0  0  0  0
  8 21  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 22  1  0  0  0  0
 10 23  1  0  0  0  0
 11 12  1  0  0  0  0
 11 15  2  0  0  0  0
 12 13  1  0  0  0  0
 12 24  1  0  0  0  0
 12 25  1  0  0  0  0
 13 14  1  0  0  0  0
 13 26  1  0  0  0  0
 13 27  1  0  0  0  0
 14 28  1  0  0  0  0
 15 16  1  0  0  0  0
 15 29  1  0  0  0  0
M  END
$$$$

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2023-11-09, 1579👍, 0💬