Molecule FYI-1005768

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A

Molecule Summary:

ID: FYI-1005768
Names:
InChIKey: YBRVSVVVWCFQMG-UHFFFAOYSA-N
SMILES: Nc2ccc(Cc1ccc(N)cc1)cc2

Received at FYIcenter.com on: 2023-11-13

Molecule ID: FYI-1005768 Edit

Molecule Structure InChIKey: YBRVSVVVWCFQMG-UHFFFAOYSA-N

Molecule Structure SMILES String: Nc2ccc(Cc1ccc(N)cc1)cc2

Download SDF Download SVG Structure in 2D SDF:

FYI-1005768
FYIcenter.com

 15 16  0  0  0  0  0  0  0  0999 V2000
    9.6995    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    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  2  0  0  0  0
  4  3  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  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 10  1  0  0  0  0
 13 12  2  0  0  0  0
 13  7  1  0  0  0  0
 14  5  1  0  0  0  0
 15 14  2  0  0  0  0
 15  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005768-3D
FYIcenter.com

 29 30  0     0  0  0  0  0  0999 V2000
    4.7718   -0.0001    1.4279 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7745    0.0003    1.4278 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0014   -0.0001   -1.6721 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2692   -0.0002   -0.8460 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2516    0.0000   -0.8592 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8335   -1.2080   -0.4790 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8362    1.2079   -0.4791 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8343    1.2079   -0.4800 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8370   -1.2079   -0.4798 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0034   -1.2081    0.2806 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0061    1.2081    0.2805 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0042    1.2080    0.2795 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0070   -1.2080    0.2796 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5890   -0.0001    0.6598 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5917    0.0002    0.6597 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0043   -0.8649   -2.3503 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0044    0.8647   -2.3504 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3858   -2.1536   -0.7701 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3915    2.1564   -0.7684 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3870    2.1535   -0.7719 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3927   -2.1565   -0.7697 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4494   -2.1560    0.5707 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4521    2.1561    0.5704 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4508    2.1559    0.5686 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4535   -2.1558    0.5689 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1965   -0.8756    1.7034 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1970    0.8755    1.7025 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1998   -0.8751    1.7024 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1992    0.8759    1.7031 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  1  0  0  0  0
  1 26  1  0  0  0  0
  1 27  1  0  0  0  0
  2 15  1  0  0  0  0
  2 28  1  0  0  0  0
  2 29  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3 16  1  0  0  0  0
  3 17  1  0  0  0  0
  4  6  2  0  0  0  0
  4  8  1  0  0  0  0
  5  7  2  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  6 18  1  0  0  0  0
  7 11  1  0  0  0  0
  7 19  1  0  0  0  0
  8 12  2  0  0  0  0
  8 20  1  0  0  0  0
  9 13  2  0  0  0  0
  9 21  1  0  0  0  0
 10 14  2  0  0  0  0
 10 22  1  0  0  0  0
 11 15  2  0  0  0  0
 11 23  1  0  0  0  0
 12 14  1  0  0  0  0
 12 24  1  0  0  0  0
 13 15  1  0  0  0  0
 13 25  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-11-18, 2105👍, 0💬