Molecule FYI-1014423

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A

Molecule Summary:

ID: FYI-1014423
Names:
InChIKey: YJZKEAVAAIQDSL-UHFFFAOYSA-N
SMILES: Nc2ccc(NC(=O)c1ccccc1)c(N)n2

Received at FYIcenter.com on: 2025-04-15

Molecule ID: FYI-1014423 Edit

Molecule Structure InChIKey: YJZKEAVAAIQDSL-UHFFFAOYSA-N

Molecule Structure SMILES String: Nc2ccc(NC(=O)c1ccccc1)c(N)n2

Download SDF Download SVG Structure in 2D SDF:

FYI-1014423
FYIcenter.com

 17 18  0  0  0  0  0  0  0  0999 V2000
    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
    7.2747    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    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
    1.2125    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  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  1  0  0  0  0
  8  7  1  0  0  0  0
  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
 14  5  1  0  0  0  0
 15 14  1  0  0  0  0
 16 14  2  0  0  0  0
 16  2  1  0  0  0  0
  7 17  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014423-3D
FYIcenter.com

 29 30  0  0  0  0  0  0  0  0999 V2000
    1.0889   -0.3147    0.1953 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4853   -0.3405    0.1567 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1489   -1.5485    0.2362 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5386   -1.5500    0.2395 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2401   -0.3511    0.1534 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6627   -0.2862    0.1183 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4937   -1.3739   -0.1028 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1225   -2.5145   -0.3618 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9643   -1.1446   -0.0715 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5792   -0.2086    0.7657 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9776   -0.1356    0.8112 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7587   -0.9897    0.0277 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1496   -1.9237   -0.8052 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7593   -2.0016   -0.8512 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4728    0.8273    0.0948 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0752    2.0927    0.0096 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1223    0.8399    0.0945 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6865   -0.9326   -0.4986 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7955    0.6490    0.0707 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6066   -2.4848    0.3043 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0364   -2.5086    0.3166 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0544    0.6479    0.0735 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9974    0.4307    1.4224 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4669    0.5721    1.4768 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8439   -0.9405    0.0775 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7495   -2.6042   -1.4044 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2894   -2.7530   -1.4843 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6459    2.2672    0.8273 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2938    2.7514   -0.0189 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 18  1  0  0  0  0
  1 19  1  0  0  0  0
  2  3  1  0  0  0  0
  2 17  2  0  0  0  0
  3  4  2  0  0  0  0
  3 20  1  0  0  0  0
  4  5  1  0  0  0  0
  4 21  1  0  0  0  0
  5  6  1  0  0  0  0
  5 15  2  0  0  0  0
  6  7  1  0  0  0  0
  6 22  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 14  2  0  0  0  0
 10 11  2  0  0  0  0
 10 23  1  0  0  0  0
 11 12  1  0  0  0  0
 11 24  1  0  0  0  0
 12 13  2  0  0  0  0
 12 25  1  0  0  0  0
 13 14  1  0  0  0  0
 13 26  1  0  0  0  0
 14 27  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 28  1  0  0  0  0
 16 29  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2025-04-26, 1138👍, 0💬