Molecule FYI-1008623

Home > Molecule

A

Molecule Summary:

ID: FYI-1008623
Names:
InChIKey: SJXSVHRFTNJFTN-UHFFFAOYSA-N
SMILES: CCCC(=O)Nc1nccc(C)n1

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

Molecule ID: FYI-1008623 Edit

Molecule Structure InChIKey: SJXSVHRFTNJFTN-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCC(=O)Nc1nccc(C)n1

Download SDF Download SVG Structure in 2D SDF:

FYI-1008623
FYIcenter.com

 13 13  0  0  0  0  0  0  0  0999 V2000
    8.4871    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    3.5000    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
    4.8498    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    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
    1.2125    1.4000    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    2.1000    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  1  0  0  0  0
  5  4  2  0  0  0  0
  6  4  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 11  2  0  0  0  0
 13  7  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1008623-3D
FYIcenter.com

 26 26  0     0  0  0  0  0  0999 V2000
    1.3987    1.3582    0.0164 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5498   -0.8309    0.0133 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2751    0.6488    0.0025 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6174   -1.7367    0.0021 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9258   -0.5074   -0.0044 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0801    0.4925   -0.0007 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5469    0.1407    0.0180 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4420   -0.1876   -0.0229 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8510   -0.6294    0.0056 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6155    0.8037   -0.0051 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5088   -0.2481   -0.0095 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1282    2.2047   -0.0096 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9472   -1.5086   -0.0056 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0057   -1.1633    0.8712 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9891   -1.1378   -0.8998 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9963    1.1559   -0.8699 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0121    1.1310    0.8884 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5724   -0.8291    0.8542 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2402    0.5611   -0.0196 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5561   -0.8038   -0.9202 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8308   -1.8084    0.0134 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5817   -0.1050   -0.0158 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7422    2.3884    0.8777 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3038    2.9253   -0.0046 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7302    2.3870   -0.9055 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5699   -2.3969   -0.0085 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  2  0  0  0  0
  2  7  1  0  0  0  0
  2  9  1  0  0  0  0
  2 21  1  0  0  0  0
  3  9  1  0  0  0  0
  3 10  2  0  0  0  0
  4  9  2  0  0  0  0
  4 13  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 14  1  0  0  0  0
  5 15  1  0  0  0  0
  6  8  1  0  0  0  0
  6 16  1  0  0  0  0
  6 17  1  0  0  0  0
  8 18  1  0  0  0  0
  8 19  1  0  0  0  0
  8 20  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  2  0  0  0  0
 11 22  1  0  0  0  0
 12 23  1  0  0  0  0
 12 24  1  0  0  0  0
 12 25  1  0  0  0  0
 13 26  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-06-03, 163👍, 0💬