Molecule FYI-1013959

A

Molecule Summary:

ID: FYI-1013959
Names:
InChIKey: BAFBUQSXJJIDIO-CPZBXZKTSA-N
SMILES: C[C@@H]2C1C=CC=CC1CN2C(=O)CN4CCC(C3C=CC=CC3)NC4=O

Received at FYIcenter.com on: 2025-02-14

Molecule ID: FYI-1013959 Edit

Molecule Structure InChIKey: BAFBUQSXJJIDIO-CPZBXZKTSA-N

Molecule Structure SMILES String: C[C@@H]2C1C=CC=CC1CN2C(=O)CN4CCC(C3C=CC=CC3)NC4=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1013959
FYIcenter.com

 26 29  0  0  1  0  0  0  0  0999 V2000
   11.2694    2.9611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9783    4.3306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9152    5.3709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3152    5.3709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0152    6.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3152    7.7959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9152    7.7959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2152    6.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8457    6.2923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    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
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  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
  8  3  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 10  2  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 13 11  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 19 14  1  0  0  0  0
 20 19  2  0  0  0  0
 21 17  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  2  0  0  0  0
 24 23  1  0  0  0  0
 25 24  2  0  0  0  0
 26 25  1  0  0  0  0
 26 21  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1013959-3D
FYIcenter.com

 53 56  0  0  1  0  0  0  0  0999 V2000
    2.6760   -0.9962    0.4731 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1580    0.1928   -0.3460 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.7025    0.0742   -0.8869 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.2958   -0.6357   -0.0120 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5176   -1.9484   -0.1528 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2480   -2.7286   -1.1073 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9165   -2.1307   -2.1083 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8899   -0.6233   -2.2568 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.1872    0.0179   -2.7563 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9515    0.3795   -1.5685 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2312    0.9154   -1.5605 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8245    1.1637   -0.5107 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7953    1.3386   -2.9321 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2492    1.3106   -3.0478 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9801    2.5091   -2.6637 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4843    2.3103   -2.5950 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9898    1.4587   -3.7561 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.1714    2.1811   -5.1298 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.8972    2.7763   -5.6891 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7552    4.0754   -5.9846 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8363    5.0088   -5.8187 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0500    4.6081   -5.4211 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3690    3.1781   -5.0844 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1597    0.2700   -3.8692 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8289    0.2120   -3.6306 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2048   -0.7942   -3.9602 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6060   -0.7332    0.9864 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9029   -1.8653   -0.1536 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9669   -1.3009    1.2494 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2446    1.0941    0.2724 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3254    1.0876   -1.0900 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8460   -0.0533    0.7238 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2334   -2.4720    0.4747 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2891   -3.8034   -0.9668 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4975   -2.7233   -2.8096 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.6144    2.8412   -1.6853 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7178    3.2978   -3.3752 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7077    1.7785   -1.6600 H   0  0  0  0  0  0  0  0  0  0  0  0
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    9.9785    1.0723   -3.4736 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4625    1.3980   -5.8471 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0585    2.1027   -5.8466 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8109    4.4560   -6.3628 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6458    6.0514   -6.0579 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8556    5.3334   -5.3435 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8541    3.1594   -4.1013 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1312    2.8341   -5.7958 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5227   -0.5446   -4.3488 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  1 28  1  0  0  0  0
  1 29  1  0  0  0  0
  2  3  1  0  0  0  0
  2 10  1  0  0  0  0
  2 30  1  1  0  0  0
  3  4  1  0  0  0  0
  3  8  1  0  0  0  0
  3 31  1  0  0  0  0
  4  5  2  0  0  0  0
  4 32  1  0  0  0  0
  5  6  1  0  0  0  0
  5 33  1  0  0  0  0
  6  7  2  0  0  0  0
  6 34  1  0  0  0  0
  7  8  1  0  0  0  0
  7 35  1  0  0  0  0
  8  9  1  0  0  0  0
  8 36  1  0  0  0  0
  9 10  1  0  0  0  0
  9 37  1  0  0  0  0
  9 38  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 39  1  0  0  0  0
 13 40  1  0  0  0  0
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 14 25  1  0  0  0  0
 15 16  1  0  0  0  0
 15 41  1  0  0  0  0
 15 42  1  0  0  0  0
 16 17  1  0  0  0  0
 16 43  1  0  0  0  0
 16 44  1  0  0  0  0
 17 18  1  0  0  0  0
 17 24  1  0  0  0  0
 17 45  1  0  0  0  0
 18 19  1  0  0  0  0
 18 23  1  0  0  0  0
 18 46  1  0  0  0  0
 19 20  2  0  0  0  0
 19 47  1  0  0  0  0
 20 21  1  0  0  0  0
 20 48  1  0  0  0  0
 21 22  2  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
 24 25  1  0  0  0  0
 24 53  1  0  0  0  0
 25 26  2  0  0  0  0
M  END
$$$$

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2025-03-12, 1332👍, 0💬