Molecule FYI-1006477

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A

Molecule Summary:

ID: FYI-1006477
Names:
InChIKey: XQNASOLDOKFRMP-UHFFFAOYSA-N
SMILES: NCCc2cc1CC(N)Cc1cc2CCN

Received at FYIcenter.com on: 2023-12-27

Molecule ID: FYI-1006477 Edit

Molecule Structure InChIKey: XQNASOLDOKFRMP-UHFFFAOYSA-N

Molecule Structure SMILES String: NCCc2cc1CC(N)Cc1cc2CCN

Download SDF Download SVG Structure in 2D SDF:

FYI-1006477
FYIcenter.com

 16 17  0  0  0  0  0  0  0  0999 V2000
    6.0625    4.1998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0625    5.5997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8500    6.2997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    5.5997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    4.1998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8500    3.4998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1028    6.5365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5334    7.8155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1411    7.6691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2334    9.0278    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    2.0998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.4999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5001    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  3  9  1  0  0  0  0
  2  7  1  0  0  0  0
  8 10  1  0  0  0  0
  6 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
  5 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006477-3D
FYIcenter.com

 37 38  0  0  0  0  0  0  0  0999 V2000
    0.4536   -2.0190    0.4168 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7580   -2.2030    1.0604 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8055   -1.2926    0.4172 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2416   -1.5046    0.8660 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7644   -2.7985    0.7294 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1164   -2.9406    0.5565 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8513   -4.1901    0.1715 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7178   -3.5600   -0.9291 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7181   -4.4591   -1.4886 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2180   -2.2367   -0.2720 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9453   -1.8288    0.4356 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4958   -0.5735    0.8122 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1210   -0.4070    1.0911 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6228    0.8670    1.7360 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9515    2.1817    1.0209 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3741    3.3153    1.7510 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1680   -2.7687    0.7158 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5535   -2.1195   -0.5920 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0344   -3.2568    0.9583 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6779   -1.9875    2.1292 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4972   -0.2481    0.5131 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8147   -1.4768   -0.6700 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1279   -3.6666    0.6009 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1986   -4.9914   -0.1793 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4561   -4.5453    1.0175 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0544   -3.2814   -1.7634 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1184   -5.0365   -0.7520 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2364   -5.1129   -2.1100 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5090   -1.5089   -1.0446 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0377   -2.3973    0.4365 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1798    0.2673    0.8503 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0467    0.8995    2.7483 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5426    0.8194    1.9003 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5704    2.1761   -0.0055 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0348    2.3255    0.9725 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3678    3.3491    1.5868 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7522    4.1895    1.3898 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 17  1  0  0  0  0
  1 18  1  0  0  0  0
  2  3  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 21  1  0  0  0  0
  3 22  1  0  0  0  0
  4  5  1  0  0  0  0
  4 13  2  0  0  0  0
  5  6  2  0  0  0  0
  5 23  1  0  0  0  0
  6  7  1  0  0  0  0
  6 11  1  0  0  0  0
  7  8  1  0  0  0  0
  7 24  1  0  0  0  0
  7 25  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 26  1  0  0  0  0
  9 27  1  0  0  0  0
  9 28  1  0  0  0  0
 10 11  1  0  0  0  0
 10 29  1  0  0  0  0
 10 30  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 31  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 32  1  0  0  0  0
 14 33  1  0  0  0  0
 15 16  1  0  0  0  0
 15 34  1  0  0  0  0
 15 35  1  0  0  0  0
 16 36  1  0  0  0  0
 16 37  1  0  0  0  0
M  END
$$$$

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2023-12-31, 2618👍, 0💬