Molecule FYI-1004355

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A

Molecule Summary:

ID: FYI-1004355
Names:
InChIKey: LTKUGBDMHOQZJQ-SOFGYWHQSA-N
SMILES: C=C(C)NC(=C)/C=C(C)/NC

Received at FYIcenter.com on: 2023-09-01

Molecule ID: FYI-1004355 Edit

Molecule Structure InChIKey: LTKUGBDMHOQZJQ-SOFGYWHQSA-N

Molecule Structure SMILES String: C=C(C)NC(=C)/C=C(C)/NC

Download SDF Download SVG Structure in 2D SDF:

FYI-1004355
FYIcenter.com

 11 10  0  0  0  0  0  0  0  0999 V2000
    4.8498    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    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
    4.8499    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  5  2  0  0  0  0
  8  4  1  0  0  0  0
  1  9  2  0  0  0  0
  5 10  1  0  0  0  0
  4 11  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004355-3D
FYIcenter.com

 27 26  0  0  0  0  0  0  0  0999 V2000
    0.8744   -0.4955    0.4057 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1766   -0.6441    0.1151 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5402   -1.3599   -1.1658 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1687   -0.2265    0.9946 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5510   -0.2272    0.9350 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2612   -0.0706   -0.1988 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3401   -0.2378    2.1761 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1171   -0.7457    3.4091 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8690   -1.4999    3.8089 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0368   -0.6409    4.4551 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4055   -0.1714    4.4513 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0983   -0.8497   -0.2648 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5405   -0.0189    1.3212 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6608   -1.7929   -1.6591 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2316   -2.1843   -0.9693 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9838   -0.6703   -1.8885 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8155    0.1272    1.8795 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7929    0.0717   -1.1628 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3463   -0.0395   -0.2033 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3002    0.2490    2.0293 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1281   -1.6199    3.0216 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3811   -0.9872    4.6478 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1357   -2.5098    4.1431 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7894   -1.1796    5.2839 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7022    0.3291    3.5276 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0879   -1.0102    4.6173 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5401    0.5413    5.2699 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1 12  1  0  0  0  0
  1 13  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3 14  1  0  0  0  0
  3 15  1  0  0  0  0
  3 16  1  0  0  0  0
  4  5  1  0  0  0  0
  4 17  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  6 18  1  0  0  0  0
  6 19  1  0  0  0  0
  7  8  2  0  0  0  0
  7 20  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 21  1  0  0  0  0
  9 22  1  0  0  0  0
  9 23  1  0  0  0  0
 10 11  1  0  0  0  0
 10 24  1  0  0  0  0
 11 25  1  0  0  0  0
 11 26  1  0  0  0  0
 11 27  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-09-07, 2655👍, 0💬