Molecule FYI-1002473

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A

Molecule Summary:

ID: FYI-1002473
Names:
InChIKey: DCOVPLXUYKPECL-UHFFFAOYSA-N
SMILES: CN(C)CCN(Cc1ccccc1)C(=O)c2ccccn2

Received at FYIcenter.com on: 2023-04-03

Molecule ID: FYI-1002473 Edit

Molecule Structure InChIKey: DCOVPLXUYKPECL-UHFFFAOYSA-N

Molecule Structure SMILES String: CN(C)CCN(Cc1ccccc1)C(=O)c2ccccn2

Download SDF Download SVG Structure in 2D SDF:

FYI-1002473
FYIcenter.com

 21 22  0  0  0  0  0  0  0  0999 V2000
    9.6996    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    4.2000    0.0000 N   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
    6.0623    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3000    0.0000 O   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    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    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    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 N   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  2  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
  8  7  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  2  0  0  0  0
 13  8  1  0  0  0  0
 14  6  1  0  0  0  0
 15 14  2  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
 19 18  2  0  0  0  0
 20 19  1  0  0  0  0
 21 20  2  0  0  0  0
 21 16  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002473-3D
FYIcenter.com

 42 43  0  0  0  0  0  0  0  0999 V2000
    6.4066    2.0790    0.0324 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2237    1.2186    0.2128 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0818    1.8083   -0.4716 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5639   -0.1423   -0.2652 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5311   -1.3028   -0.1107 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9819   -2.6603   -0.5421 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9908   -3.7041   -0.8264 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6161   -3.6673   -0.1969 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4906   -3.3948   -0.9933 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2026   -3.6506   -0.5168 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0224   -4.1684    0.7639 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1271   -4.3844    1.5863 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4172   -4.1240    1.1136 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3549   -2.9695   -0.6504 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2611   -2.2103   -0.3033 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8462   -4.2767   -1.2080 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0537   -4.7636   -0.7085 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5873   -5.9242   -1.2512 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9045   -6.5587   -2.2802 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7101   -6.0056   -2.7222 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1619   -4.8771   -2.2156 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2362    3.0783    0.4472 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6824    2.1845   -1.0246 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2730    1.6690    0.5668 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9138    2.8316   -0.1106 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1679    1.2521   -0.2479 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2198    1.8494   -1.5573 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4221   -0.4013    0.3566 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8950   -0.1046   -1.3127 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6446   -1.0573   -0.7062 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2304   -1.3879    0.9393 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4113   -4.6678   -0.5139 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8807   -3.7507   -1.9167 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6138   -3.0457   -2.0163 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6578   -3.4861   -1.1609 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9763   -4.4167    1.1148 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9850   -4.7963    2.5827 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2696   -4.3491    1.7510 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5780   -4.2334    0.0820 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5319   -6.3155   -0.8825 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2986   -7.4627   -2.7310 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1500   -6.4727   -3.5283 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 22  1  0  0  0  0
  1 23  1  0  0  0  0
  1 24  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3 25  1  0  0  0  0
  3 26  1  0  0  0  0
  3 27  1  0  0  0  0
  4  5  1  0  0  0  0
  4 28  1  0  0  0  0
  4 29  1  0  0  0  0
  5  6  1  0  0  0  0
  5 30  1  0  0  0  0
  5 31  1  0  0  0  0
  6  7  1  0  0  0  0
  6 14  1  0  0  0  0
  7  8  1  0  0  0  0
  7 32  1  0  0  0  0
  7 33  1  0  0  0  0
  8  9  1  0  0  0  0
  8 13  2  0  0  0  0
  9 10  2  0  0  0  0
  9 34  1  0  0  0  0
 10 11  1  0  0  0  0
 10 35  1  0  0  0  0
 11 12  2  0  0  0  0
 11 36  1  0  0  0  0
 12 13  1  0  0  0  0
 12 37  1  0  0  0  0
 13 38  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 21  2  0  0  0  0
 17 18  2  0  0  0  0
 17 39  1  0  0  0  0
 18 19  1  0  0  0  0
 18 40  1  0  0  0  0
 19 20  2  0  0  0  0
 19 41  1  0  0  0  0
 20 21  1  0  0  0  0
 20 42  1  0  0  0  0
M  END
$$$$

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2023-04-26, 2432👍, 0💬