Molecule FYI-1013392

A

Molecule Summary:

ID: FYI-1013392
Names:
InChIKey: JTZRDGXGSOMPIK-UHFFFAOYSA-N
SMILES: CN(C)c3ccc(NC(=O)CCc2cc1ccccc1[nH]2)cc3

Received at FYIcenter.com on: 2024-12-11

Molecule ID: FYI-1013392 Edit

Molecule Structure InChIKey: JTZRDGXGSOMPIK-UHFFFAOYSA-N

Molecule Structure SMILES String: CN(C)c3ccc(NC(=O)CCc2cc1ccccc1[nH]2)cc3

Download SDF Download SVG Structure in 2D SDF:

FYI-1013392
FYIcenter.com

 23 25  0  0  0  0  0  0  0  0999 V2000
    7.9531    4.9959    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9531    3.5959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1655    2.8959    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.3779    3.5959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5904    2.8959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8028    3.5959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8028    4.9959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0152    5.6959    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.2276    4.9959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0152    7.0959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5904    5.6959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3779    4.9959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.1695    1.5036    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 23 22  1  0  0  0  0
 23 15  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1013392-3D
FYIcenter.com

 44 46  0  0  0  0  0  0  0  0999 V2000
    1.6783    0.7544    0.7227 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8313    0.1220    0.0880 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6267   -0.7780    0.9166 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3792    0.6643   -1.0733 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8963    1.8501   -1.6452 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4133    2.3831   -2.8398 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4332    1.7388   -3.5320 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9761    2.1989   -4.7603 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5487    3.2960   -5.4925 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6087    4.0345   -5.2054 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3602    3.5783   -6.7514 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0068    4.9522   -6.6061 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6128    5.5140   -7.8545 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9282    5.5968   -8.2716 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9904    6.5276   -9.3511 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0401    7.1133  -10.0866 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7451    8.0988  -11.0390 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4277    8.4830  -11.2803 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3680    7.8909  -10.5863 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6822    6.9255   -9.6207 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8620    6.2300   -8.7598 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9455    0.5647   -2.9766 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
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  4 23  2  0  0  0  0
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  7  8  1  0  0  0  0
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 23 44  1  0  0  0  0
M  END
$$$$

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2024-12-18, 1131👍, 0💬