Molecule FYI-1002443

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A

Molecule Summary:

ID: FYI-1002443
Names:
InChIKey: HPGHERAMSQMWPG-UHFFFAOYSA-N
SMILES: O=C(NCc1ccccc1)c2nccc3ccccc23

Received at FYIcenter.com on: 2023-03-23

Molecule ID: FYI-1002443 Edit

Molecule Structure InChIKey: HPGHERAMSQMWPG-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C(NCc1ccccc1)c2nccc3ccccc23

Download SDF Download SVG Structure in 2D SDF:

FYI-1002443
FYIcenter.com

 20 22  0  0  0  0  0  0  0  0999 V2000
    7.2747    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  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  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
 10  5  1  0  0  0  0
 11  2  1  0  0  0  0
 12 11  2  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 15  2  0  0  0  0
 16 11  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  2  0  0  0  0
 19 18  1  0  0  0  0
 20 19  2  0  0  0  0
 20 15  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002443-3D
FYIcenter.com

 34 36  0     0  0  0  0  0  0999 V2000
    0.2130   -1.6282   -1.6542 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7563   -1.5606    0.5991 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3078   -2.1267    0.0780 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9173    0.2665   -0.1103 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2685    0.5169    0.2068 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5030   -1.0660   -0.1582 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1518   -1.9040    0.4453 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0135   -0.6874    0.2680 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1300   -1.4445   -0.4754 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0486    1.3409   -0.3631 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7222    1.8448    0.2642 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1182   -0.5674    0.4549 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5160    2.6535   -0.3014 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8498    2.9049    0.0115 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2589   -0.1990   -1.0101 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5571   -0.0611    1.3835 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5944   -1.8489    0.3785 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0593    0.9314   -1.1749 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3574    1.0694    1.2186 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6085    1.5655   -0.0607 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2686   -2.5833   -0.4074 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4530   -2.4628    1.3386 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4144   -1.3753    1.5379 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0022    1.1822   -0.6110 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7597    2.0646    0.5066 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1654   -0.4231    0.7025 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8394    3.4801   -0.4978 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2123    3.9277    0.0589 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8403   -0.6849   -1.8866 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3663   -0.4378    2.3846 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2215   -2.7149    0.5642 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2553    1.3175   -2.1709 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7847    1.5637    2.0862 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2316    2.4458   -0.1890 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  2  0  0  0  0
  2  7  1  0  0  0  0
  2  9  1  0  0  0  0
  2 23  1  0  0  0  0
  3  6  2  0  0  0  0
  3 17  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  2  0  0  0  0
  5 12  1  0  0  0  0
  6  9  1  0  0  0  0
  7  8  1  0  0  0  0
  7 21  1  0  0  0  0
  7 22  1  0  0  0  0
  8 15  2  0  0  0  0
  8 16  1  0  0  0  0
 10 13  1  0  0  0  0
 10 24  1  0  0  0  0
 11 14  1  0  0  0  0
 11 25  1  0  0  0  0
 12 17  2  0  0  0  0
 12 26  1  0  0  0  0
 13 14  2  0  0  0  0
 13 27  1  0  0  0  0
 14 28  1  0  0  0  0
 15 18  1  0  0  0  0
 15 29  1  0  0  0  0
 16 19  2  0  0  0  0
 16 30  1  0  0  0  0
 17 31  1  0  0  0  0
 18 20  2  0  0  0  0
 18 32  1  0  0  0  0
 19 20  1  0  0  0  0
 19 33  1  0  0  0  0
 20 34  1  0  0  0  0
M  END
$$$$

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2023-04-05, 473👍, 0💬