Molecule FYI-1008596

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A

Molecule Summary:

ID: FYI-1008596
Names:
InChIKey: SQDGZCQNRQUYSA-UHFFFAOYSA-N
SMILES: C#CCNC(=O)c1ccoc1C

Received at FYIcenter.com on: 2024-04-28

Molecule ID: FYI-1008596 Edit

Molecule Structure InChIKey: SQDGZCQNRQUYSA-UHFFFAOYSA-N

Molecule Structure SMILES String: C#CCNC(=O)c1ccoc1C

Download SDF Download SVG Structure in 2D SDF:

FYI-1008596
FYIcenter.com

 12 12  0  0  0  0  0  0  0  0999 V2000
    2.7433    5.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7836    4.8923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9162    2.9306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8531    3.9710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1531    5.1834    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    0.0000 N   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
    0.0000    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   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  2  0  0  0  0
  6  5  1  0  0  0  0
  6  2  1  0  0  0  0
  7  3  1  0  0  0  0
  8  7  2  0  0  0  0
  9  7  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  3  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1008596-3D
FYIcenter.com

 21 21  0     0  0  0  0  0  0999 V2000
    3.1641    0.2339    0.3754 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5578   -1.5730   -0.3921 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3642    0.5835   -0.6691 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9729    0.1825   -0.1225 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0902   -0.5695    0.1575 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3872    1.5349   -0.0735 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3319   -0.3386   -0.4027 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3354   -2.0162    0.2619 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7279    1.5131    0.2330 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7341    0.2162   -0.9463 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5204    0.1461    0.2849 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1692    0.0872    1.2934 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8007    2.4276   -0.2372 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1006   -2.5170   -0.6824 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3827   -2.2283    0.5002 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7182   -2.4565    1.0512 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4745    2.2802    0.3776 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1565    1.5767   -0.6523 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1426    0.9738   -1.6223 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7483   -0.7470   -1.4664 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7444    0.0349    2.1881 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  9  1  0  0  0  0
  2  7  2  0  0  0  0
  3  7  1  0  0  0  0
  3 10  1  0  0  0  0
  3 18  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  6  9  2  0  0  0  0
  6 13  1  0  0  0  0
  8 14  1  0  0  0  0
  8 15  1  0  0  0  0
  8 16  1  0  0  0  0
  9 17  1  0  0  0  0
 10 11  1  0  0  0  0
 10 19  1  0  0  0  0
 10 20  1  0  0  0  0
 11 12  3  0  0  0  0
 12 21  1  0  0  0  0
M  END
$$$$

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2024-06-03, 179👍, 0💬