Molecule FYI-1008444

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A

Molecule Summary:

ID: FYI-1008444
Names:
InChIKey: HAIPJIYVWCQVNZ-UHFFFAOYSA-N
SMILES: Nc2cc(C1CC1)ccn2

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

Molecule ID: FYI-1008444 Edit

Molecule Structure InChIKey: HAIPJIYVWCQVNZ-UHFFFAOYSA-N

Molecule Structure SMILES String: Nc2cc(C1CC1)ccn2

Download SDF Download SVG Structure in 2D SDF:

FYI-1008444
FYIcenter.com

 10 11  0  0  0  0  0  0  0  0999 V2000
    3.8249    5.4124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8249    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6124    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6124    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8249    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0373    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0373    3.3124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    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  2  0  0  0  0
  7  2  1  0  0  0  0
  8  4  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 10  8  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1008444-3D
FYIcenter.com

 20 21  0     0  0  0  0  0  0999 V2000
   -2.1785   -0.7050   -0.2032 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6657    1.6249   -0.1015 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9506    0.1530    0.5563 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6809    1.1158   -0.3331 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9964   -0.3499   -0.3951 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5150   -0.1449    0.2925 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4110    0.8898    0.2182 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0957   -1.4594    0.1193 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7338    0.5598   -0.0295 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2496   -1.6843   -0.1240 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2395    0.1710    1.6051 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1721    1.5505   -1.1852 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4133    1.7697    0.1254 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6962   -0.8849   -1.2881 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9405   -0.6799    0.0219 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1049    1.9228    0.3541 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7889   -2.2918    0.1746 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6277   -2.6914   -0.2653 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6320    1.3784   -0.2765 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4738    2.4694    0.4232 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  2  0  0  0  0
  1 10  1  0  0  0  0
  2  9  1  0  0  0  0
  2 19  1  0  0  0  0
  2 20  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3 11  1  0  0  0  0
  4  5  1  0  0  0  0
  4 12  1  0  0  0  0
  4 13  1  0  0  0  0
  5 14  1  0  0  0  0
  5 15  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 16  1  0  0  0  0
  8 10  2  0  0  0  0
  8 17  1  0  0  0  0
 10 18  1  0  0  0  0
M  END
$$$$

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2024-07-11, 1465👍, 0💬