Molecule FYI-1002920

A

Molecule Summary:

ID: FYI-1002920
Names:
InChIKey: SBKJSVJFFWLZFI-UHFFFAOYSA-N
SMILES: Cc3cc2c(=O)c(N1CCOCC1)c(C(F)(F)F)c(=O)c2cc3C

Received at FYIcenter.com on: 2023-04-26

Molecule ID: FYI-1002920 Edit

Molecule Structure InChIKey: SBKJSVJFFWLZFI-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc3cc2c(=O)c(N1CCOCC1)c(C(F)(F)F)c(=O)c2cc3C

Download SDF Download SVG Structure in 2D SDF:

FYI-1002920
FYIcenter.com

 24 26  0  0  0  0  0  0  0  0999 V2000
    2.4250    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    4.8999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    4.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    4.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.8999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.6999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.8999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    5.6000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.9747    3.6875    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.5747    6.1124    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4872    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.8999    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  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
 10 11  2  0  0  0  0
  7 12  2  0  0  0  0
  9 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
  8 17  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 17 22  1  0  0  0  0
 17 18  1  0  0  0  0
  3 23  1  0  0  0  0
  2 24  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002920-3D
FYIcenter.com

 40 42  0  0  0  0  0  0  0  0999 V2000
    0.8840    0.0661    0.0048 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3882    0.0908   -0.0122 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0980   -1.1231   -0.0298 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4995   -1.1434   -0.0360 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2267   -2.4271   -0.0338 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5852   -3.4856   -0.0629 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7416   -2.4048   -0.0169 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4135   -3.6369    0.0726 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1786   -4.5832    1.1921 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5102   -5.2808    1.5377 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0621   -5.9565    0.3920 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2679   -5.0275   -0.6893 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9469   -4.3554   -1.1058 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3828   -1.2159   -0.0601 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8621   -1.0247   -0.0997 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2781    0.2717   -0.1177 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.4876   -1.5800    0.9769 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.4249   -1.5751   -1.2052 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.6487    0.0647   -0.0321 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2007    1.1543    0.0022 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1866    0.0530   -0.0313 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4991    1.2740   -0.0178 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0985    1.3066   -0.0077 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3907    2.6348    0.0080 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5001   -0.9595    0.0093 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4857    0.5649   -0.8848 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5061    0.5632    0.9034 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5510   -2.0676   -0.0306 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4414   -5.3388    0.8849 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7916   -4.0656    2.0745 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3496   -6.0271    2.3217 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2560   -4.5669    1.9107 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6964   -5.5828   -1.5277 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9992   -4.2723   -0.3732 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2313   -5.1187   -1.4347 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1288   -3.6718   -1.9435 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0608    2.2110   -0.0113 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0987    3.4702    0.0161 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7677    2.7234    0.9035 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7659    2.7412   -0.8845 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 25  1  0  0  0  0
  1 26  1  0  0  0  0
  1 27  1  0  0  0  0
  2  3  1  0  0  0  0
  2 23  2  0  0  0  0
  3  4  2  0  0  0  0
  3 28  1  0  0  0  0
  4  5  1  0  0  0  0
  4 21  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 14  2  0  0  0  0
  8  9  1  0  0  0  0
  8 13  1  0  0  0  0
  9 10  1  0  0  0  0
  9 29  1  0  0  0  0
  9 30  1  0  0  0  0
 10 11  1  0  0  0  0
 10 31  1  0  0  0  0
 10 32  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 33  1  0  0  0  0
 12 34  1  0  0  0  0
 13 35  1  0  0  0  0
 13 36  1  0  0  0  0
 14 15  1  0  0  0  0
 14 19  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 18  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 22 37  1  0  0  0  0
 23 24  1  0  0  0  0
 24 38  1  0  0  0  0
 24 39  1  0  0  0  0
 24 40  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-05-09, 1850👍, 0💬