Molecule FYI-1002917

A

Molecule Summary:

ID: FYI-1002917
Names:
InChIKey: UUFVHNTZOLXKBR-UHFFFAOYSA-N
SMILES: O=c2c(N1CCOCC1)c(C(F)(F)F)c(=O)c3ccccc23

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

Molecule ID: FYI-1002917 Edit

Molecule Structure InChIKey: UUFVHNTZOLXKBR-UHFFFAOYSA-N

Molecule Structure SMILES String: O=c2c(N1CCOCC1)c(C(F)(F)F)c(=O)c3ccccc23

Download SDF Download SVG Structure in 2D SDF:

FYI-1002917
FYIcenter.com

 22 24  0  0  0  0  0  0  0  0999 V2000
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    5.6000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.7622    3.6876    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.3622    6.1124    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.8000    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  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  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
  2 10  1  0  0  0  0
  1  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
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002917-3D
FYIcenter.com

 34 36  0  0  0  0  0  0  0  0999 V2000
    0.9492   -2.6707   -0.0196 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9890   -1.4467    0.0616 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2990   -0.6922    0.2024 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4510   -1.4838    0.3133 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8365   -2.4899   -0.7029 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0192   -3.8812   -0.0790 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9442   -3.8446    1.0208 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4515   -2.9633    2.0403 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3045   -1.5257    1.5188 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2954    0.6588    0.2023 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5445    1.4745    0.2758 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3901    2.8209    0.1990 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.2100    1.2662    1.4476 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.4153    1.1539   -0.7214 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.0395    1.4262    0.0569 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0146    2.6458   -0.0485 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2401    0.7051    0.0439 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4413    1.4326    0.0199 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6663    0.7674    0.0227 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6960   -0.6255    0.0429 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5010   -1.3500    0.0530 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2670   -0.6797    0.0542 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7924   -2.1658   -1.1327 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1140   -2.5348   -1.5250 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4278   -4.5693   -0.8263 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0681   -4.2972    0.2705 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1660   -2.9840    2.8695 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4953   -3.3477    2.4147 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2916   -1.1318    1.2500 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8903   -0.9033    2.3192 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4268    2.5218    0.0017 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5940    1.3355    0.0098 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6499   -1.1482    0.0496 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5363   -2.4377    0.0638 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2 22  1  0  0  0  0
  3  4  1  0  0  0  0
  3 10  2  0  0  0  0
  4  5  1  0  0  0  0
  4  9  1  0  0  0  0
  5  6  1  0  0  0  0
  5 23  1  0  0  0  0
  5 24  1  0  0  0  0
  6  7  1  0  0  0  0
  6 25  1  0  0  0  0
  6 26  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 27  1  0  0  0  0
  8 28  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 15  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 22  2  0  0  0  0
 18 19  2  0  0  0  0
 18 31  1  0  0  0  0
 19 20  1  0  0  0  0
 19 32  1  0  0  0  0
 20 21  2  0  0  0  0
 20 33  1  0  0  0  0
 21 22  1  0  0  0  0
 21 34  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-05-09, 1983👍, 0💬