Molecule FYI-1005967

A

Molecule Summary:

ID: FYI-1005967
Names:
InChIKey: MOIWSUQWIOVGRH-UHFFFAOYSA-N
SMILES: CN3CCN(C(=O)c2nc1cc(Cl)ccc1[nH]2)CC3

Received at FYIcenter.com on: 2023-11-24

Molecule ID: FYI-1005967 Edit

Molecule Structure InChIKey: MOIWSUQWIOVGRH-UHFFFAOYSA-N

Molecule Structure SMILES String: CN3CCN(C(=O)c2nc1cc(Cl)ccc1[nH]2)CC3

Download SDF Download SVG Structure in 2D SDF:

FYI-1005967
FYIcenter.com

 19 21  0  0  0  0  0  0  0  0999 V2000
   11.7779    0.7959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5655    1.4959    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.5655    2.8959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3531    3.5959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1407    2.8959    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9282    3.5959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9282    4.9959    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    2.8959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4369    3.4653    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2125    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5695    1.5036    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1407    1.4959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3531    0.7959    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  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  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
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 12  2  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 16 10  1  0  0  0  0
 17 16  1  0  0  0  0
 17  8  1  0  0  0  0
 18  5  1  0  0  0  0
 19 18  1  0  0  0  0
 19  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005967-3D
FYIcenter.com

 34 36  0     0  0  0  0  0  0999 V2000
   -6.2722    0.3423    0.7750 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.2629   -2.5558    0.0295 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1330   -0.4357   -0.2978 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5806    1.0031    0.0994 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3309   -1.3390    0.5692 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6146    0.2579   -0.8006 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3701   -0.8723   -0.9450 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1053    0.9869    0.0644 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5982   -0.4468   -0.1424 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3667    1.3854    0.8345 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0755   -1.3472   -0.1216 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7765    1.4160    0.8326 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2813   -0.8102   -0.1197 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4272   -0.5550    0.3161 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9543    0.4346   -0.5412 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7513   -0.6243    0.7501 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8412    1.4217   -1.0030 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6204    0.3663    0.2809 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1754    1.3720   -0.5802 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3881   -0.4173   -1.9432 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3674   -1.9583   -1.0845 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2310    1.2048    0.6847 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0201    1.5610   -0.8659 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6259   -0.9973    0.8075 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4950   -0.7218   -0.7103 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3473    2.4708    0.9898 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3529    0.9110    1.8250 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7833    2.5022    0.9762 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6801    1.1692    0.2640 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8465    0.9376    1.8162 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3095   -2.1594    1.1604 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0823   -1.4117    1.4190 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5050    2.2072   -1.6721 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8632    2.1357   -0.9370 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 18  1  0  0  0  0
  2 11  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  3 11  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  4 12  1  0  0  0  0
  5 13  1  0  0  0  0
  5 14  1  0  0  0  0
  5 31  1  0  0  0  0
  6 13  2  0  0  0  0
  6 15  1  0  0  0  0
  7  9  1  0  0  0  0
  7 20  1  0  0  0  0
  7 21  1  0  0  0  0
  8 10  1  0  0  0  0
  8 22  1  0  0  0  0
  8 23  1  0  0  0  0
  9 24  1  0  0  0  0
  9 25  1  0  0  0  0
 10 26  1  0  0  0  0
 10 27  1  0  0  0  0
 11 13  1  0  0  0  0
 12 28  1  0  0  0  0
 12 29  1  0  0  0  0
 12 30  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  2  0  0  0  0
 16 32  1  0  0  0  0
 17 19  2  0  0  0  0
 17 33  1  0  0  0  0
 18 19  1  0  0  0  0
 19 34  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-12-01, 2002👍, 0💬