Molecule FYI-1009413

A

Molecule Summary:

ID: FYI-1009413
Names:
InChIKey: BMNMSFOKZDDJCR-UHFFFAOYSA-N
SMILES: CN3CCN(C2N=CC(CNCCNC1C=CC=CC1)=CN2)CC3

Received at FYIcenter.com on: 2024-05-09

Molecule ID: FYI-1009413 Edit

Molecule Structure InChIKey: BMNMSFOKZDDJCR-UHFFFAOYSA-N

Molecule Structure SMILES String: CN3CCN(C2N=CC(CNCCNC1C=CC=CC1)=CN2)CC3

Download SDF Download SVG Structure in 2D SDF:

FYI-1009413
FYIcenter.com

 24 26  0  0  0  0  0  0  0  0999 V2000
   16.9741    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 23 11  2  0  0  0  0
 24 23  1  0  0  0  0
 24  8  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1009413-3D
FYIcenter.com

 54 56  0  0  1  0  0  0  0  0999 V2000
   -3.6379   -3.0726   -2.0874 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8653   -1.8535   -1.8379 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7111   -0.8474   -1.1646 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9276    0.3826   -0.6471 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7612    0.0878    0.2010 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1153   -0.2057    1.5995 C   0  0  3  0  0  0  0  0  0  0  0  0
   -3.0057   -1.3666    1.7569 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4042   -2.4271    2.1689 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9516   -2.5788    2.4424 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2752   -3.8551    2.0862 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2282   -4.5876    3.2341 N   0  0  0  0  0  0  0  0  0  0  0  0
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    1.5096   -6.5231    4.0088 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2537   -7.7166    3.6136 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7844   -8.4678    4.7659 C   0  0  3  0  0  0  0  0  0  0  0  0
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    5.2110   -7.7251    5.1558 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7933   -7.6880    5.6616 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3545   -1.4203    2.7364 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 27  1  0  0  0  0
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  3  4  1  0  0  0  0
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  3 29  1  0  0  0  0
  4  5  1  0  0  0  0
  4 30  1  0  0  0  0
  4 31  1  0  0  0  0
  5  6  1  0  0  0  0
  5 23  1  0  0  0  0
  6  7  1  0  0  0  0
  6 22  1  0  0  0  0
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  8 33  1  0  0  0  0
  9 10  1  0  0  0  0
  9 21  2  0  0  0  0
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 10 35  1  0  0  0  0
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 15 42  1  0  0  0  0
 16 17  2  0  0  0  0
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 24 54  1  0  0  0  0
M  END
$$$$

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2024-05-15, 1257👍, 0💬