Molecule FYI-1008862

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A

Molecule Summary:

ID: FYI-1008862
Names:
InChIKey: RHINWRKJVGGOJR-UHFFFAOYSA-N
SMILES: C=CCNC(=O)c1ccccc1N

Received at FYIcenter.com on: 2024-04-28

Molecule ID: FYI-1008862 Edit

Molecule Structure InChIKey: RHINWRKJVGGOJR-UHFFFAOYSA-N

Molecule Structure SMILES String: C=CCNC(=O)c1ccccc1N

Download SDF Download SVG Structure in 2D SDF:

FYI-1008862
FYIcenter.com

 13 13  0  0  0  0  0  0  0  0999 V2000
    7.2746    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 C   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  2  0  0  0  0
  7  2  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  8  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1008862-3D
FYIcenter.com

 25 25  0     0  0  0  0  0  0999 V2000
    1.0231   -1.0757    1.0785 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4707    0.9981    0.1466 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0812   -2.3016   -0.0790 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7962    0.1094    0.1889 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6073   -0.9904   -0.0910 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6178   -0.0519    0.5033 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3352    1.3959    0.1713 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9573   -0.8036   -0.3884 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8827    0.9888    0.4107 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6852    1.5825   -0.1262 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4962    0.4829   -0.4061 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5918    0.3741   -0.7500 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3725   -0.7085   -0.6586 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7477    2.2768    0.4141 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1110    1.7879   -0.3797 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6009   -1.6517   -0.6081 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2050    2.0272    0.5357 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0781    0.4521    1.3452 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1070    2.5834   -0.1329 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5476    0.6282   -0.6360 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1030   -2.4668    0.1127 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6858   -3.0854   -0.2875 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4751    0.8484   -1.7215 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8680   -1.1042   -1.5383 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5295   -1.2165    0.2865 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  2  0  0  0  0
  2  6  1  0  0  0  0
  2  9  1  0  0  0  0
  2 15  1  0  0  0  0
  3  5  1  0  0  0  0
  3 21  1  0  0  0  0
  3 22  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  2  0  0  0  0
  5  8  2  0  0  0  0
  7 10  1  0  0  0  0
  7 14  1  0  0  0  0
  8 11  1  0  0  0  0
  8 16  1  0  0  0  0
  9 12  1  0  0  0  0
  9 17  1  0  0  0  0
  9 18  1  0  0  0  0
 10 11  2  0  0  0  0
 10 19  1  0  0  0  0
 11 20  1  0  0  0  0
 12 13  2  0  0  0  0
 12 23  1  0  0  0  0
 13 24  1  0  0  0  0
 13 25  1  0  0  0  0
M  END
$$$$

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2024-04-29, 132👍, 0💬