Molecule FYI-1006732

Home > Molecule

A

Molecule Summary:

ID: FYI-1006732
Names:
InChIKey: CTRLABGOLIVAIY-UHFFFAOYSA-N
SMILES: NC(=O)N3c1ccccc1CC(=O)c2ccccc23

Received at FYIcenter.com on: 2024-01-12

Molecule ID: FYI-1006732 Edit

Molecule Structure InChIKey: CTRLABGOLIVAIY-UHFFFAOYSA-N

Molecule Structure SMILES String: NC(=O)N3c1ccccc1CC(=O)c2ccccc23

Download SDF Download SVG Structure in 2D SDF:

FYI-1006732
FYIcenter.com

 19 21  0  0  0  0  0  0  0  0999 V2000
    5.9458    4.1259    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7332    4.8259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7332    6.2259    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5208    4.1259    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3642    4.9145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6757    6.2794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6493    7.2317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3116    6.8191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.4541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0263    4.5020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5148    3.1987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2148    1.9863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4262    0.8295    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5992    1.7776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9107    0.4127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2486    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2747    0.9523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9632    2.3171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6254    2.7298    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  2  1  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
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 10  5  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
 14 12  1  0  0  0  0
 15 14  2  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 19 14  1  0  0  0  0
 19  4  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006732-3D
FYIcenter.com

 31 33  0     0  0  0  0  0  0999 V2000
    1.0960   -3.0625   -1.0128 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7617    3.0768   -1.0440 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1276    1.0360   -0.2790 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4825    2.7977   -1.1045 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5541   -0.9569   -0.4171 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2796    0.2999    0.1333 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6418   -1.5179   -1.4598 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1397    0.4482    0.0883 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4930   -0.9074   -0.1105 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6762   -1.9159   -0.8600 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6844   -1.6674    0.0089 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1485    0.8401    1.0957 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0759    1.2781    0.7468 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7432   -1.3751    0.3474 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2072    2.3547   -0.7916 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5399   -1.1265    0.9683 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2730    0.1274    1.5105 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3098    0.7998    1.1894 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6429   -0.5291    0.9907 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0929   -2.4059   -1.9200 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4766   -0.8064   -2.2773 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9086   -2.6464   -0.4072 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9468    1.8100    1.5440 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8404    2.3148    0.9781 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0477   -2.4093    0.2022 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4143   -1.6835    1.2917 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9372    0.5487    2.2593 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9990    1.4654    1.7005 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5997   -0.9105    1.3341 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6192    3.7268   -1.4892 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3112    2.2178   -1.0478 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  2  0  0  0  0
  2 15  2  0  0  0  0
  3  6  1  0  0  0  0
  3  8  1  0  0  0  0
  3 15  1  0  0  0  0
  4 15  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  7  1  0  0  0  0
  5 11  2  0  0  0  0
  6 12  2  0  0  0  0
  7 10  1  0  0  0  0
  7 20  1  0  0  0  0
  7 21  1  0  0  0  0
  8  9  1  0  0  0  0
  8 13  2  0  0  0  0
  9 10  1  0  0  0  0
  9 14  2  0  0  0  0
 11 16  1  0  0  0  0
 11 22  1  0  0  0  0
 12 17  1  0  0  0  0
 12 23  1  0  0  0  0
 13 18  1  0  0  0  0
 13 24  1  0  0  0  0
 14 19  1  0  0  0  0
 14 25  1  0  0  0  0
 16 17  2  0  0  0  0
 16 26  1  0  0  0  0
 17 27  1  0  0  0  0
 18 19  2  0  0  0  0
 18 28  1  0  0  0  0
 19 29  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-01-24, 1231👍, 0💬