Molecule FYI-1009419

A

Molecule Summary:

ID: FYI-1009419
Names:
InChIKey: BSQXUCGDCVBTOA-UHFFFAOYSA-N
SMILES: CC3C=CN=C(NCC1C=CC=CC1CN2CCCC2CO)C3

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

Molecule ID: FYI-1009419 Edit

Molecule Structure InChIKey: BSQXUCGDCVBTOA-UHFFFAOYSA-N

Molecule Structure SMILES String: CC3C=CN=C(NCC1C=CC=CC1CN2CCCC2CO)C3

Download SDF Download SVG Structure in 2D SDF:

FYI-1009419
FYIcenter.com

 23 25  0  0  0  0  0  0  0  0999 V2000
    9.6996    5.6543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    6.3543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    7.7543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    8.4543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    7.7543    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    6.3543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    5.6543    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.6543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    6.3543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.6543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    2.1543    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5047    1.3314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.1015    1.7640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3925    3.1335    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    5.6543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
 23  6  1  0  0  0  0
 23  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1009419-3D
FYIcenter.com

 52 54  0  0  1  0  0  0  0  0999 V2000
   -0.6322    0.9860   -0.3943 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8238    0.5500   -0.2251 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.0988   -0.6927   -1.0084 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8203   -0.6666   -2.1333 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3453    0.4554   -2.7121 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3222    1.5687   -2.0360 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8889    2.6842   -2.6166 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4830    3.7441   -1.8174 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0988    4.8912   -2.6487 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.0414    5.5791   -3.4937 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8061    6.8994   -3.4668 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5589    7.7773   -2.6113 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4981    7.3114   -1.7841 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8396    5.8421   -1.6382 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.3817    5.5792   -1.6475 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0725    6.3465   -0.6191 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7510    6.0551    0.7711 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5358    7.1729    1.4261 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8520    7.1788    0.6552 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5302    6.4955   -0.6914 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.3746    5.2149   -0.8713 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7719    5.5101   -0.8341 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7890    1.6681   -0.6104 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2633    3.2985   -1.1874 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.3242    8.8360   -2.6448 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.5818    4.5070   -1.5335 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  2  3  1  0  0  0  0
  2 23  1  0  0  0  0
  2 27  1  0  0  0  0
  3  4  2  0  0  0  0
  3 28  1  0  0  0  0
  4  5  1  0  0  0  0
  4 29  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6 23  1  0  0  0  0
  7  8  1  0  0  0  0
  7 30  1  0  0  0  0
  8  9  1  0  0  0  0
  8 31  1  0  0  0  0
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  9 10  1  0  0  0  0
  9 14  1  0  0  0  0
  9 33  1  0  0  0  0
 10 11  2  0  0  0  0
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 14 38  1  0  0  0  0
 15 16  1  0  0  0  0
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 15 40  1  0  0  0  0
 16 17  1  0  0  0  0
 16 20  1  0  0  0  0
 17 18  1  0  0  0  0
 17 41  1  0  0  0  0
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 22 50  1  0  0  0  0
 23 51  1  0  0  0  0
 23 52  1  0  0  0  0
M  END
$$$$

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2024-05-15, 1568👍, 0💬