Molecule FYI-1008503

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A

Molecule Summary:

ID: FYI-1008503
Names:
InChIKey: NYBJNXALBLQGGA-UHFFFAOYSA-N
SMILES: C#CCNc1cccc(C)c1C(=O)NC

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

Molecule ID: FYI-1008503 Edit

Molecule Structure InChIKey: NYBJNXALBLQGGA-UHFFFAOYSA-N

Molecule Structure SMILES String: C#CCNc1cccc(C)c1C(=O)NC

Download SDF Download SVG Structure in 2D SDF:

FYI-1008503
FYIcenter.com

 15 15  0  0  0  0  0  0  0  0999 V2000
    4.8498    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    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
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    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
    1.2125    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  1  0  0  0  0
  4  3  2  0  0  0  0
  5  3  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  8  6  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  5  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  3  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1008503-3D
FYIcenter.com

 29 29  0     0  0  0  0  0  0999 V2000
   -1.1573    2.1101    1.2432 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3992   -0.3872    0.0937 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0210    2.1265   -0.7538 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9995    0.0806    0.0796 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0588   -0.8255    0.0086 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3150   -0.3752   -0.0068 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1987   -2.1875   -0.1487 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5724   -1.7372   -0.1643 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5142   -2.6432   -0.2355 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7354    1.5069    0.2441 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4697    0.5705    0.0653 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5119   -1.2811    0.0254 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3856    3.5247   -0.7221 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7744   -0.5421    0.1036 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8114    0.0596    0.1679 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5901   -2.9310   -0.2076 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5911   -2.1096   -0.2318 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7152   -3.7036   -0.3575 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5642    0.6036    0.2304 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5914    0.9492    1.0851 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3341    1.4109   -0.6237 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4085    0.0818   -0.2187 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4777   -2.0023    0.8506 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5009   -1.8404   -0.9178 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3131    1.5820   -1.5603 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3683    4.0879   -1.2774 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3592    3.6387   -1.2043 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4326    3.8881    0.3073 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7310    0.5936    0.2248 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  2  0  0  0  0
  2  5  1  0  0  0  0
  2 12  1  0  0  0  0
  2 19  1  0  0  0  0
  3 10  1  0  0  0  0
  3 13  1  0  0  0  0
  3 25  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  2  0  0  0  0
  4 10  1  0  0  0  0
  5  7  2  0  0  0  0
  6  8  1  0  0  0  0
  6 11  1  0  0  0  0
  7  9  1  0  0  0  0
  7 16  1  0  0  0  0
  8  9  2  0  0  0  0
  8 17  1  0  0  0  0
  9 18  1  0  0  0  0
 11 20  1  0  0  0  0
 11 21  1  0  0  0  0
 11 22  1  0  0  0  0
 12 14  1  0  0  0  0
 12 23  1  0  0  0  0
 12 24  1  0  0  0  0
 13 26  1  0  0  0  0
 13 27  1  0  0  0  0
 13 28  1  0  0  0  0
 14 15  3  0  0  0  0
 15 29  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-06-03, 1722👍, 0💬