Molecule FYI-1001447

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A

Molecule Summary:

ID: FYI-1001447
SMILES: C#CCN(C)[C@H](C)Cc1ccccc1

Received at FYIcenter.com on: 2022-07-28

Molecule ID: FYI-1001447 Edit

Molecule Structure SMILES String: C#CCN(C)[C@H](C)Cc1ccccc1

Download SDF Download SVG Structure in 2D SDF:

FYI-1001447
FYIcenter.com

 14 14  0  0  1  0  0  0  0  0999 V2000
    9.6995    3.5000    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
    7.2747    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.8000    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
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  3  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  4  1  6  0  0  0
  7  6  1  0  0  0  0
  8  6  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 14  9  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001447-3D
FYIcenter.com

 31 31  0  0  1  0  0  0  0  0999 V2000
    8.2742   -1.3673   -3.0032 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9694   -0.5268   -2.1998 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5938    0.5174   -1.2277 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1384    0.7290   -1.1815 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6369    1.2665   -2.4461 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6930    1.4640    0.0344 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.1527    1.4854    0.1104 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2791    2.8934    0.2524 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8205    3.5457    1.5496 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1438    2.9846    2.7953 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6227    3.5211    3.9761 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7889    4.6356    3.9299 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4963    5.2299    2.7046 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0121    4.6927    1.5217 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5296   -2.1075   -3.7321 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1187    1.4476   -1.4741 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9553    0.1949   -0.2439 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8309    0.5669   -3.2676 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0908    2.2288   -2.7013 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5497    1.3831   -2.4432 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0123    0.8469    0.8854 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7159    2.1744   -0.6203 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8054    1.8025    1.0991 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7396    0.4857   -0.0613 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0106    3.5371   -0.5948 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3753    2.8582    0.2763 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7817    2.1060    2.8548 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8581    3.0603    4.9318 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3677    5.0391    4.8470 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8511    6.1044    2.6691 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7555    5.1649    0.5764 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0  0  0  0
  1 15  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 16  1  0  0  0  0
  3 17  1  0  0  0  0
  4  5  1  0  0  0  0
  5 18  1  0  0  0  0
  5 19  1  0  0  0  0
  5 20  1  0  0  0  0
  6  8  1  0  0  0  0
  6  7  1  0  0  0  0
  6  4  1  0  0  0  0
  6 21  1  1  0  0  0
  7 22  1  0  0  0  0
  7 23  1  0  0  0  0
  7 24  1  0  0  0  0
  8  9  1  0  0  0  0
  8 25  1  0  0  0  0
  8 26  1  0  0  0  0
  9 10  1  0  0  0  0
  9 14  2  0  0  0  0
 10 11  2  0  0  0  0
 10 27  1  0  0  0  0
 11 12  1  0  0  0  0
 11 28  1  0  0  0  0
 12 13  2  0  0  0  0
 12 29  1  0  0  0  0
 13 14  1  0  0  0  0
 13 30  1  0  0  0  0
 14 31  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-08-27, 1702👍, 0💬