Molecule FYI-1015851

A

Molecule Summary:

ID: FYI-1015851
Names:
InChIKey: AIHBVTKEWBRCNN-SHHOIMCASA-N
SMILES: CC/C(=C(Cc1ccccc1)\\c2ccccc2OCCN(C)C)c3ccccc3

Received at FYIcenter.com on: 2025-10-22

Molecule ID: FYI-1015851 Edit

Molecule Structure InChIKey: AIHBVTKEWBRCNN-SHHOIMCASA-N

Molecule Structure SMILES String: CC/C(=C(Cc1ccccc1)\c2ccccc2OCCN(C)C)c3ccccc3

Download SDF Download SVG Structure in 2D SDF:

FYI-1015851
FYIcenter.com

 29 31  0  0  0  0  0  0  0  0999 V2000
    8.4871    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0622    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    7.0000    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
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  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  2  0  0  0  0
 11  6  1  0  0  0  0
 12  4  1  0  0  0  0
 13 12  2  0  0  0  0
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 15 14  2  0  0  0  0
 16 15  1  0  0  0  0
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 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
 23 21  1  0  0  0  0
 24  3  1  0  0  0  0
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 27 26  2  0  0  0  0
 28 27  1  0  0  0  0
 29 28  2  0  0  0  0
 29 24  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015851-3D
FYIcenter.com

 60 62  0  0  0  0  0  0  0  0999 V2000
    2.9687   -1.5576   -0.3040 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3527   -0.1994    0.0237 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8456    1.0384   -0.7237 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0697    1.9635   -1.3677 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7384    3.1413   -2.1457 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9790    4.4584   -2.3279 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5340    5.1966   -1.2234 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8372    6.3994   -1.4071 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5769    6.8817   -2.6891 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0162    6.1620   -3.7975 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7220    4.9638   -3.6137 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5563    1.8741   -1.4991 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0357    2.1752   -2.7836 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3266    2.3498   -3.0382 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2388    2.1329   -2.0278 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.0331    0.5577    1.5534 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5551   -0.2090    2.8015 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7054   -0.6130    3.6504 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5941   -1.5822    3.0027 C   0  0  0  0  0  0  0  0  0  0  0  0
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 24 25  1  0  0  0  0
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 29 60  1  0  0  0  0
M  END
$$$$

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2025-10-24, 248👍, 0💬