Molecule FYI-1001788

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Molecule Summary:

ID: FYI-1001788
SMILES: C=C.N#CC1=CN=C(C2=CC=C(C)C=C2)N=C1N

Received at FYIcenter.com on: 2022-12-08

Molecule ID: FYI-1001788 Edit

Molecule Structure SMILES String: C=C.N#CC1=CN=C(C2=CC=C(C)C=C2)N=C1N

Download SDF Download SVG Structure in 2D SDF:

FYI-1001788
FYIcenter.com

 18 18  0  0  0  0  0  0  0  0999 V2000
    6.2237    4.7657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9805    6.1444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5863   11.0299    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8294    9.6511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0725    8.2724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.3725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2431    5.9938    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5587    5.5149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8018    4.1362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7294    3.2362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9724    1.8575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2881    1.3787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5311    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3605    2.2786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1174    3.6574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6312    6.4148    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3880    7.7935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4605    8.6934    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  4  3  3  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 13 12  1  0  0  0  0
 14 12  1  0  0  0  0
 15 14  2  0  0  0  0
 15  9  1  0  0  0  0
 16  8  1  0  0  0  0
 17 16  2  0  0  0  0
 17  5  1  0  0  0  0
 18 17  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001788-3D
FYIcenter.com

 32 32  0  0  0  0  0  0  0  0999 V2000
   -0.0380    0.6272   -0.8615 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2170    1.0794   -0.9145 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7546   -1.0104    1.7573 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7819   -0.7398    1.2873 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0688   -0.4892    0.7342 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8509   -1.5461    0.3114 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1438   -1.4243   -0.0545 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6603   -0.1841    0.0101 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1174   -0.0066   -0.0584 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9902   -1.1015   -0.1412 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3743   -0.9288   -0.0564 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9216    0.3476    0.1043 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3986    0.5446    0.2556 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0710    1.4526    0.1495 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6908    1.2754    0.0635 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9479    0.9124    0.3173 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6738    0.7499    0.6798 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0566    1.9621    0.9759 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4718    0.0492   -1.6606 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6392    0.8241    0.0268 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8700    0.8777   -1.7572 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5831    1.6380   -0.0658 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4688   -2.5641    0.2908 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5911   -2.1106   -0.2325 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0168   -1.8049   -0.0914 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9377   -0.4048    0.1831 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6167    0.9836    1.2346 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7710    1.2090   -0.5299 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4705    2.4556    0.2792 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0540    2.1567    0.1337 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7971    2.6632    0.9220 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3758    2.1999    0.2654 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1 19  1  0  0  0  0
  1 20  1  0  0  0  0
  2 21  1  0  0  0  0
  2 22  1  0  0  0  0
  3  4  3  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5 17  1  0  0  0  0
  6  7  1  0  0  0  0
  6 23  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 16  1  0  0  0  0
  9 10  2  0  0  0  0
  9 15  1  0  0  0  0
 10 11  1  0  0  0  0
 10 24  1  0  0  0  0
 11 12  2  0  0  0  0
 11 25  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  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  2  0  0  0  0
 14 29  1  0  0  0  0
 15 30  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 31  1  0  0  0  0
 18 32  1  0  0  0  0
M  END
$$$$

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2023-01-06, 656👍, 0💬