Molecule FYI-1014469

A

Molecule Summary:

ID: FYI-1014469
Names:
InChIKey: BBXYSQCLQYVJAC-UHFFFAOYSA-N
SMILES: CN(C)CC(=O)Nc3ccc2c(=O)n(C1CCNCC1)c(=O)c2c3

Received at FYIcenter.com on: 2025-04-20

Molecule ID: FYI-1014469 Edit

Molecule Structure InChIKey: BBXYSQCLQYVJAC-UHFFFAOYSA-N

Molecule Structure SMILES String: CN(C)CC(=O)Nc3ccc2c(=O)n(C1CCNCC1)c(=O)c2c3

Download SDF Download SVG Structure in 2D SDF:

FYI-1014469
FYIcenter.com

 24 26  0  0  0  0  0  0  0  0999 V2000
   14.8415    3.8641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6291    3.1641    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.6291    1.7641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4166    3.8641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2042    3.1641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2042    1.7641    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9917    3.8641    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7793    3.1641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7793    1.7641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5668    1.0641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3544    1.7641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3544    3.1641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5668    3.8641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0229    3.5967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5902    4.9282    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    2.4641    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    2.4641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    3.6765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    3.6765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4641    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    5.0229    1.3315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5902    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  5  4  1  0  0  0  0
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  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 13  8  1  0  0  0  0
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 15 14  2  0  0  0  0
 16 14  1  0  0  0  0
 17 16  1  0  0  0  0
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 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
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 22 17  1  0  0  0  0
 23 16  1  0  0  0  0
 23 11  1  0  0  0  0
 24 23  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014469-3D
FYIcenter.com

 46 48  0  0  0  0  0  0  0  0999 V2000
    3.0483    0.4953   -3.6453 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6779   -0.4360   -2.5683 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2436   -0.2950   -2.2919 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9658   -1.8373   -2.9701 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4643   -2.0600   -3.2105 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8741   -2.7908   -4.1089 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2671   -1.4389   -2.2703 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6662   -1.4349   -2.3114 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3454   -1.6291   -1.0922 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7375   -1.6573   -1.0555 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4027   -1.3999   -2.2376 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8303   -1.3166   -2.4862 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6365   -1.6447   -1.6370 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9978   -0.8745   -3.7710 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.2858   -0.6739   -4.4657 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5506   -0.8685   -3.6095 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7857    0.3000   -2.6488 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8669    1.5784   -3.3575 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.6603    1.8258   -4.1460 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3851    0.7063   -5.1480 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7822   -0.8533   -4.4248 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5439   -0.6411   -5.5999 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7500   -1.1548   -3.4254 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3705   -1.1995   -3.5050 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.5112    0.2834   -4.5766 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.7957   -1.1546   -1.4175 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7889   -1.8199   -0.1775 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2815   -1.8638   -0.1400 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2938   -1.4309   -5.2612 H   0  0  0  0  0  0  0  0  0  0  0  0
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   13.2092    0.6787   -5.8746 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4837    0.9465   -5.7201 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8619   -1.0052   -4.4445 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 25  1  0  0  0  0
  1 26  1  0  0  0  0
  1 27  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3 28  1  0  0  0  0
  3 29  1  0  0  0  0
  3 30  1  0  0  0  0
  4  5  1  0  0  0  0
  4 31  1  0  0  0  0
  4 32  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 33  1  0  0  0  0
  8  9  1  0  0  0  0
  8 24  2  0  0  0  0
  9 10  2  0  0  0  0
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 10 11  1  0  0  0  0
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 11 23  2  0  0  0  0
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 15 20  1  0  0  0  0
 15 36  1  0  0  0  0
 16 17  1  0  0  0  0
 16 37  1  0  0  0  0
 16 38  1  0  0  0  0
 17 18  1  0  0  0  0
 17 39  1  0  0  0  0
 17 40  1  0  0  0  0
 18 19  1  0  0  0  0
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 19 43  1  0  0  0  0
 20 44  1  0  0  0  0
 20 45  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 46  1  0  0  0  0
M  END
$$$$

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2025-04-26, 1087👍, 0💬