Molecule FYI-1015786

A

Molecule Summary:

ID: FYI-1015786
Names:
InChIKey: UVSMNLNDYGZFPF-UHFFFAOYSA-N
SMILES: Nc2cccc3c(=O)n(C1CCC(=O)NC1=O)c(=O)c23

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

Molecule ID: FYI-1015786 Edit

Molecule Structure InChIKey: UVSMNLNDYGZFPF-UHFFFAOYSA-N

Molecule Structure SMILES String: Nc2cccc3c(=O)n(C1CCC(=O)NC1=O)c(=O)c23

Download SDF Download SVG Structure in 2D SDF:

FYI-1015786
FYIcenter.com

 20 22  0  0  0  0  0  0  0  0999 V2000
    6.7407    4.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9531    4.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9531    6.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1655    6.9083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7407    6.9083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5281    6.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3158    6.9083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5281    4.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3158    4.1083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0369    4.6776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7457    6.0471    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1695    2.7160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2098    1.7791    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    0.0000    0.0000 N   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
  4  3  2  0  0  0  0
  5  3  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  6  1  0  0  0  0
  8  1  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 10  1  0  0  0  0
 13 12  2  0  0  0  0
 14 13  1  0  0  0  0
 14  9  1  0  0  0  0
 15 14  2  0  0  0  0
 16 13  1  0  0  0  0
 17 16  2  0  0  0  0
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 19 12  1  0  0  0  0
 20 16  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015786-3D
FYIcenter.com

 31 33  0     1  0  0  0  0  0999 V2000
   -1.5507   -0.0500    2.1528 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8900    2.3869   -0.0163 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2752   -2.0895   -0.2154 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5350   -0.2728   -0.1446 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1014    0.2578   -0.1311 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5166   -0.1781    0.9640 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8440    2.1398    0.0582 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4922    0.6243   -0.1682 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.1691    0.0919   -1.4210 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6381    0.4734   -1.4010 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1518    0.0807    1.0866 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9293    1.1713   -0.0623 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3481   -1.0456   -0.1606 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1589    0.3792   -0.0566 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8074   -0.9613   -0.1161 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3261   -0.0423   -0.1595 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4759    0.7869   -0.0025 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7542   -1.9647   -0.1246 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4529   -0.2127   -0.0105 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0956   -1.5752   -0.0712 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5802    1.7173   -0.1315 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0942   -0.9993   -1.4927 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6897    0.5033   -2.3171 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1402    0.0507   -2.2780 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7596    1.5620   -1.4301 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9793   -0.5141    1.8043 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4798   -3.0120   -0.1706 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5080    0.0492    0.0303 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8760   -2.3318   -0.0759 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8210    2.3984    0.0964 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1351    2.8608    0.0631 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  2  0  0  0  0
  2 12  2  0  0  0  0
  3 13  2  0  0  0  0
  4 16  2  0  0  0  0
  5  8  1  0  0  0  0
  5 12  1  0  0  0  0
  5 13  1  0  0  0  0
  6 11  1  0  0  0  0
  6 16  1  0  0  0  0
  6 26  1  0  0  0  0
  7 17  1  0  0  0  0
  7 30  1  0  0  0  0
  7 31  1  0  0  0  0
  8  9  1  0  0  0  0
  8 11  1  0  0  0  0
  8 21  1  0  0  0  0
  9 10  1  0  0  0  0
  9 22  1  0  0  0  0
  9 23  1  0  0  0  0
 10 16  1  0  0  0  0
 10 24  1  0  0  0  0
 10 25  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 15  2  0  0  0  0
 14 17  1  0  0  0  0
 15 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  2  0  0  0  0
 18 27  1  0  0  0  0
 19 20  1  0  0  0  0
 19 28  1  0  0  0  0
 20 29  1  0  0  0  0
M  END
$$$$

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