Molecule FYI-1001602

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A

Molecule Summary:

ID: FYI-1001602
SMILES: C(=Nc1ccccn1)c2ccncc2

Received at FYIcenter.com on: 2022-09-28

Molecule ID: FYI-1001602 Edit

Molecule Structure SMILES String: C(=Nc1ccccn1)c2ccncc2

Download SDF Download SVG Structure in 2D SDF:

FYI-1001602
FYIcenter.com

 14 15  0  0  0  0  0  0  0  0999 V2000
    3.6373    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
    6.0622    2.8000    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
    8.4871    2.8000    0.0000 C   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 N   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 N   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
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  8  3  1  0  0  0  0
  9  1  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 14  9  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001602-3D
FYIcenter.com

 23 24  0  0  0  0  0  0  0  0999 V2000
    0.9693   -0.0863    0.1220 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2808   -1.1768    0.0125 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1135   -1.0633    0.0860 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9065   -1.9885   -0.5786 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2913   -1.8857   -0.4755 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8388   -0.8689    0.2965 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9732    0.0033    0.9345 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6276   -0.0711    0.8468 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4443   -0.0895    0.0995 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1567   -1.2808   -0.0016 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5367   -1.2028   -0.0079 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2236   -0.0417    0.0766 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5000    1.0946    0.1755 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1177    1.1256    0.1916 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4918    0.9052    0.2343 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4466   -2.7758   -1.1648 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9334   -2.5955   -0.9886 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9122   -0.7604    0.4032 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3503    0.8110    1.5552 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6557   -2.2402   -0.0676 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1480   -2.0979   -0.0813 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0826    2.0090    0.2451 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5920    2.0693    0.2759 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3  0  0  0
  1  9  1  0  0  0  0
  1 15  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  8  2  0  0  0  0
  4  5  2  0  0  0  0
  4 16  1  0  0  0  0
  5  6  1  0  0  0  0
  5 17  1  0  0  0  0
  6  7  2  0  0  0  0
  6 18  1  0  0  0  0
  7  8  1  0  0  0  0
  7 19  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 20  1  0  0  0  0
 11 12  1  0  0  0  0
 11 21  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 22  1  0  0  0  0
 14 23  1  0  0  0  0
M  END
$$$$

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2022-10-07, 121👍, 0💬