Molecule FYI-1005859

A

Molecule Summary:

ID: FYI-1005859
Names:
InChIKey: YAFYTEUTGDIFDN-UHFFFAOYSA-N
SMILES: Cc2c(CNC(=O)C1CNC(=O)N1C)cccc2C(F)(F)F

Received at FYIcenter.com on: 2023-11-17

Molecule ID: FYI-1005859 Edit

Molecule Structure InChIKey: YAFYTEUTGDIFDN-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc2c(CNC(=O)C1CNC(=O)N1C)cccc2C(F)(F)F

Download SDF Download SVG Structure in 2D SDF:

FYI-1005859
FYIcenter.com

 22 23  0  0  0  0  0  0  0  0999 V2000
    8.2779    5.0624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2779    3.6624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0655    2.9624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8531    3.6624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6407    2.9624    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4282    3.6624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4282    5.0624    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2158    2.9624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9369    3.5318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4914    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    1.2790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1306    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0695    1.5701    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1098    0.6332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0655    1.5624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2779    0.8624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4905    1.5624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4905    2.9624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7029    3.6624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0029    4.8748    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   11.9153    4.3624    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   11.4029    2.4500    0.0000 F   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  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  6  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 13 11  1  0  0  0  0
 13  8  1  0  0  0  0
 14 13  1  0  0  0  0
 15  3  1  0  0  0  0
 16 15  2  0  0  0  0
 17 16  1  0  0  0  0
 18 17  2  0  0  0  0
 18  2  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 21 19  1  0  0  0  0
 22 19  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005859-3D
FYIcenter.com

 38 39  0     1  0  0  0  0  0999 V2000
   -5.1199    1.2820   -0.8980 F   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9851    0.5471    1.1381 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6992    2.1746    0.4852 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.2447   -1.3683   -0.5290 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6529    0.7980   -1.3240 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2226    0.1486    0.4388 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5692    1.8027   -0.9481 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8798   -0.7885    1.2655 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8707    0.4742    0.8516 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.5396    1.7349    0.0617 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9870   -0.6641    0.4438 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6121    0.8959   -0.6878 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1394   -1.7945    1.0717 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0151   -0.8782    1.0844 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2183   -1.3286    0.1374 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1862   -0.4147    0.5544 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1786    0.0034   -0.3323 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2428   -1.8242   -1.1663 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1594    0.1176    1.9521 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2030   -0.4924   -1.6359 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2351   -1.4062   -2.0528 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2268    0.9808    0.0893 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8431    0.6436    1.9328 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5569    1.7266   -0.4184 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6331    2.6317    0.6823 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5900    2.4851   -1.6993 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5422   -2.0716    2.0507 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3399   -2.7000    0.6793 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7661   -0.1455    2.0434 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1035   -0.6375    2.1471 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0109   -0.9226    0.6358 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5236   -1.8469    0.9651 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4951   -2.5352   -1.5077 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2983    0.7797    2.0866 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0378    0.6963    2.2404 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1075   -0.6980    2.6805 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9664   -0.1805   -2.3432 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2537   -1.7918   -3.0679 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 22  1  0  0  0  0
  2 22  1  0  0  0  0
  3 22  1  0  0  0  0
  4 11  2  0  0  0  0
  5 12  2  0  0  0  0
  6  9  1  0  0  0  0
  6 12  1  0  0  0  0
  6 14  1  0  0  0  0
  7 10  1  0  0  0  0
  7 12  1  0  0  0  0
  7 26  1  0  0  0  0
  8 11  1  0  0  0  0
  8 13  1  0  0  0  0
  8 29  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 23  1  0  0  0  0
 10 24  1  0  0  0  0
 10 25  1  0  0  0  0
 13 15  1  0  0  0  0
 13 27  1  0  0  0  0
 13 28  1  0  0  0  0
 14 30  1  0  0  0  0
 14 31  1  0  0  0  0
 14 32  1  0  0  0  0
 15 16  2  0  0  0  0
 15 18  1  0  0  0  0
 16 17  1  0  0  0  0
 16 19  1  0  0  0  0
 17 20  2  0  0  0  0
 17 22  1  0  0  0  0
 18 21  2  0  0  0  0
 18 33  1  0  0  0  0
 19 34  1  0  0  0  0
 19 35  1  0  0  0  0
 19 36  1  0  0  0  0
 20 21  1  0  0  0  0
 20 37  1  0  0  0  0
 21 38  1  0  0  0  0
M  END
$$$$

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2023-11-25, 2862👍, 0💬