Molecule FYI-1012796

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A

Molecule Summary:

ID: FYI-1012796
Names:
InChIKey: WFWUJGIABNGBBR-UHFFFAOYSA-N
SMILES: Cc2c(C(=O)NCC1CCC1)cnn2C

Received at FYIcenter.com on: 2024-10-22

Molecule ID: FYI-1012796 Edit

Molecule Structure InChIKey: WFWUJGIABNGBBR-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc2c(C(=O)NCC1CCC1)cnn2C

Download SDF Download SVG Structure in 2D SDF:

FYI-1012796
FYIcenter.com

 15 16  0  0  0  0  0  0  0  0999 V2000
    3.1641    1.0865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5967    2.4180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4641    3.2409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3315    2.4180    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7641    1.0865    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4641    4.6409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9282    2.8506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9686    1.9138    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2193    4.2200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3021    2.3401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3381    1.3984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4047    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8031    0.0666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7365    1.4651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  1  2  0  0  0  0
  4  6  1  0  0  0  0
  3  7  1  0  0  0  0
  2  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 12 15  1  0  0  0  0
 12 13  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1012796-3D
FYIcenter.com

 32 33  0     0  0  0  0  0  0999 V2000
   -0.0698   -1.8253   -0.1578 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0122    0.1625   -0.8950 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4325    0.4622    0.2249 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9611    1.6543   -0.1789 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0948   -0.1571    0.1922 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5971    1.2794    0.4469 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5764   -0.5848    0.1438 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8808    0.6461    1.0231 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3381   -0.3425   -1.1067 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0316   -0.6320   -0.4303 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3386    0.0477   -0.2386 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5004   -0.5335    0.2075 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6815    1.3948   -0.4607 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8062   -1.9201    0.6099 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8173    0.3481    0.6196 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5814   -0.5927    1.0619 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7745    1.8771   -0.4549 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0065    1.8703    1.1521 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8066   -1.5542    0.5936 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0374   -0.5359   -0.8499 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8296    0.4441    2.0991 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8127    1.1716    0.8011 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7882    0.2089   -1.9383 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2874   -1.4022   -1.3776 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8557    1.1481   -1.0788 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0639    2.2075   -0.8152 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5873   -2.6112   -0.2110 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8517   -2.0742    0.8894 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1938   -2.2089    1.4706 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3111   -0.3631   -0.0470 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3017    1.3250    0.5371 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8565    0.0072    1.6571 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  2  0  0  0  0
  2  9  1  0  0  0  0
  2 10  1  0  0  0  0
  2 25  1  0  0  0  0
  3  4  1  0  0  0  0
  3 12  1  0  0  0  0
  3 15  1  0  0  0  0
  4 13  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  9  1  0  0  0  0
  5 16  1  0  0  0  0
  6  8  1  0  0  0  0
  6 17  1  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
  7 20  1  0  0  0  0
  8 21  1  0  0  0  0
  8 22  1  0  0  0  0
  9 23  1  0  0  0  0
  9 24  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 26  1  0  0  0  0
 14 27  1  0  0  0  0
 14 28  1  0  0  0  0
 14 29  1  0  0  0  0
 15 30  1  0  0  0  0
 15 31  1  0  0  0  0
 15 32  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-10-25, 1094👍, 0💬