Molecule FYI-1016280

Home > Molecule

A

Molecule Summary:

ID: FYI-1016280
Names:
InChIKey: NLGOAOHNXBCKGT-UHFFFAOYSA-N
SMILES: CCOC(=O)Cn1cnc[n+]1c2ccccn2

Received at FYIcenter.com on: 2025-12-01

Molecule ID: FYI-1016280 Edit

Molecule Structure InChIKey: NLGOAOHNXBCKGT-UHFFFAOYSA-N

Molecule Structure SMILES String: CCOC(=O)Cn1cnc[n+]1c2ccccn2

Download SDF Download SVG Structure in 2D SDF:

FYI-1016280
FYIcenter.com

 17 18  0  0  0  0  0  0  0  0999 V2000
    5.8531    9.5353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6407    8.8353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6407    7.4353    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4282    6.7353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2158    7.4353    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4282    5.3353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2158    4.6353    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9369    5.2047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1643    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    2.9519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0695    3.2430    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.1098    2.3061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8188    0.9367    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8591    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1907    0.4326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4817    1.8019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4414    2.7388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  2  0  0  0  0
  6  4  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 11  7  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 17 12  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016280-3D
FYIcenter.com

 30 31  0  0  0  0  0  0  0  0999 V2000
    2.2426    0.4978    4.6353 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3214    2.0083    4.5264 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9284    2.3258    3.2642 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2880    2.3689    3.2632 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0028    2.4024    4.2574 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8028    2.3500    1.8398 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2714    2.3192    1.8353 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1074    3.4356    1.7079 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4371    3.1384    1.8385 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3831    1.7894    2.0838 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0813    1.2598    2.0835 N   0  3  0  0  0  0  0  0  0  0  0  0
    6.6555   -0.1324    2.3097 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6189   -1.0853    2.6213 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2112   -2.4108    2.7690 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8716   -2.7371    2.6041 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9822   -1.7128    2.3121 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3465   -0.4136    2.1602 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7169    0.1890    5.5411 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2468    0.0589    4.6430 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7275    0.0815    3.7616 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8676    2.4478    5.3696 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3144    2.4412    4.5269 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4792    3.2706    1.3418 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3985    1.5079    1.2782 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6633    4.4058    1.5355 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2342    1.1483    2.2596 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6662   -0.8570    2.7545 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9345   -3.1888    3.0074 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5278   -3.7620    2.7013 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9227   -1.9275    2.1720 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 18  1  0  0  0  0
  1 19  1  0  0  0  0
  1 20  1  0  0  0  0
  2  3  1  0  0  0  0
  2 21  1  0  0  0  0
  2 22  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 23  1  0  0  0  0
  6 24  1  0  0  0  0
  7  8  1  0  0  0  0
  7 11  1  0  0  0  0
  8  9  2  0  0  0  0
  8 25  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 26  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 17  2  0  0  0  0
 13 14  2  0  0  0  0
 13 27  1  0  0  0  0
 14 15  1  0  0  0  0
 14 28  1  0  0  0  0
 15 16  2  0  0  0  0
 15 29  1  0  0  0  0
 16 17  1  0  0  0  0
 16 30  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2025-12-09, 353👍, 0💬