Molecule FYI-1010711

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A

Molecule Summary:

ID: FYI-1010711
Names:
InChIKey: ZMNIYDBRFMJZGK-UHFFFAOYSA-N
SMILES: NN3CCN(c1ccnc2cc(Cl)ccc12)CC3

Received at FYIcenter.com on: 2024-07-04

Molecule ID: FYI-1010711 Edit

Molecule Structure InChIKey: ZMNIYDBRFMJZGK-UHFFFAOYSA-N

Molecule Structure SMILES String: NN3CCN(c1ccnc2cc(Cl)ccc12)CC3

Download SDF Download SVG Structure in 2D SDF:

FYI-1010711
FYIcenter.com

 18 20  0  0  0  0  0  0  0  0999 V2000
    7.2746    8.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    7.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    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
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 Cl  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
    3.6373    3.5000    0.0000 C   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
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  7  2  1  0  0  0  0
  8  5  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 15 14  1  0  0  0  0
 16 14  1  0  0  0  0
 17 16  2  0  0  0  0
 18 17  1  0  0  0  0
 18  8  1  0  0  0  0
 18 12  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1010711-3D
FYIcenter.com

 33 35  0  0  0  0  0  0  0  0999 V2000
    0.8120    0.0464    0.1846 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2614    0.0798    0.1045 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6961    1.0371   -0.9441 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4334    0.6020   -2.4052 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9670   -0.7520   -2.6549 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7033   -1.0670   -3.7930 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6541   -0.1406   -4.2481 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4783   -0.4508   -5.3108 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4487   -1.6271   -5.9578 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5487   -2.5322   -5.5624 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5567   -3.7426   -6.2417 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6581   -4.7558   -5.9315 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7210   -6.2523   -6.7764 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.6986   -4.5550   -4.9577 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6625   -3.3346   -4.2823 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6212   -2.3068   -4.5086 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5169   -1.7465   -1.6694 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7799   -1.2673   -0.2267 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4574    0.9630    0.4807 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5153   -0.5808    0.9333 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7770    1.1876   -0.8175 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2383    2.0179   -0.7639 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8566    1.3590   -3.0720 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3545    0.5945   -2.6032 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8053    0.8097   -3.7489 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2248    0.2551   -5.6640 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2895   -3.8924   -7.0313 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9735   -5.3272   -4.7215 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8549   -3.1917   -3.5760 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0513   -2.6962   -1.7748 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4452   -1.9301   -1.8046 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8647   -1.2519   -0.0624 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3838   -2.0068    0.4796 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 19  1  0  0  0  0
  1 20  1  0  0  0  0
  2  3  1  0  0  0  0
  2 18  1  0  0  0  0
  3  4  1  0  0  0  0
  3 21  1  0  0  0  0
  3 22  1  0  0  0  0
  4  5  1  0  0  0  0
  4 23  1  0  0  0  0
  4 24  1  0  0  0  0
  5  6  1  0  0  0  0
  5 17  1  0  0  0  0
  6  7  1  0  0  0  0
  6 16  2  0  0  0  0
  7  8  2  0  0  0  0
  7 25  1  0  0  0  0
  8  9  1  0  0  0  0
  8 26  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 16  1  0  0  0  0
 11 12  2  0  0  0  0
 11 27  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 28  1  0  0  0  0
 15 16  1  0  0  0  0
 15 29  1  0  0  0  0
 17 18  1  0  0  0  0
 17 30  1  0  0  0  0
 17 31  1  0  0  0  0
 18 32  1  0  0  0  0
 18 33  1  0  0  0  0
M  END
$$$$

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2024-07-25, 179👍, 0💬