Molecule FYI-1001686

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A

Molecule Summary:

ID: FYI-1001686
SMILES: Cn(c2)c(C(=O)1)c(n2)N(C)C(=O)N(C)1

Received at FYIcenter.com on: 2022-11-07

Molecule ID: FYI-1001686 Edit

Molecule Structure SMILES String: Cn(c2)c(C(=O)1)c(n2)N(C)C(=O)N(C)1

Download SDF Download SVG Structure in 2D SDF:

FYI-1001686
FYIcenter.com

 14 15  0  0  0  0  0  0  0  0999 V2000
    4.5302    6.0868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3177    5.3868    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0388    5.9562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1714    3.9945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1082    2.9540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4775    3.2451    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8020    3.7034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1019    4.9159    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3694    2.3719    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3061    1.3315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8735    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6756    1.6226    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6123    0.5821    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  2  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  7  4  2  0  0  0  0
  8  7  1  0  0  0  0
  8  3  2  0  0  0  0
  9  7  1  0  0  0  0
 10  9  1  0  0  0  0
 11  9  1  0  0  0  0
 12 11  2  0  0  0  0
 13 11  1  0  0  0  0
 14 13  1  0  0  0  0
 13  5  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001686-3D
FYIcenter.com

 24 25  0  0  0  0  0  0  0  0999 V2000
   -3.2363   -1.1552    0.0309 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2655   -0.0907    0.0081 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5392    1.2512   -0.0039 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9065   -0.2216    0.0058 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0654   -1.3666    0.0121 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4986   -2.5159    0.0168 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4287    1.0542    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4356    1.9720   -0.0075 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9187    1.3188    0.0059 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4307    2.6740    0.0086 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8284    0.2583    0.0095 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0457    0.4637    0.0101 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2967   -1.0446    0.0137 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2173   -2.1646    0.0227 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2432   -0.7307    0.0038 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1023   -1.7269    0.9526 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0811   -1.7892   -0.8456 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5473    1.6468   -0.0076 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6271    3.4147    0.0384 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0314    2.8282   -0.8934 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0753    2.8092    0.8832 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2648   -1.8544    0.0270 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0337   -2.7817   -0.8631 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0247   -2.7742    0.9118 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  8  2  0  0  0  0
  3 18  1  0  0  0  0
  4  5  1  0  0  0  0
  4  7  2  0  0  0  0
  5  6  2  0  0  0  0
  5 13  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 19  1  0  0  0  0
 10 20  1  0  0  0  0
 10 21  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 22  1  0  0  0  0
 14 23  1  0  0  0  0
 14 24  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-11-21, 1967👍, 0💬