Molecule FYI-1010602

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A

Molecule Summary:

ID: FYI-1010602
Names:
InChIKey: HIARQWAOAUEZDE-UHFFFAOYSA-N
SMILES: CN(C)c2cc1ccccc1c(N)n2

Received at FYIcenter.com on: 2024-06-26

Molecule ID: FYI-1010602 Edit

Molecule Structure InChIKey: HIARQWAOAUEZDE-UHFFFAOYSA-N

Molecule Structure SMILES String: CN(C)c2cc1ccccc1c(N)n2

Download SDF Download SVG Structure in 2D SDF:

FYI-1010602
FYIcenter.com

 14 15  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.5001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2123    1.4003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    2.1002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    3.5001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2123    4.2001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1002    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0624    4.2001    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0624    5.6003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    3.5001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  6  1  2  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
  4  7  1  0  0  0  0
  6  5  1  0  0  0  0
 10  5  1  0  0  0  0
  7  8  2  0  0  0  0
  7 14  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1010602-3D
FYIcenter.com

 27 28  0     0  0  0  0  0  0999 V2000
    2.8946    0.4231   -0.0137 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1811   -1.2265    0.0745 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4978   -2.8754    0.1623 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7593    0.8096   -0.0497 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1522   -0.5427    0.0251 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5199    0.0784    0.0022 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6058    1.1189   -0.0611 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1420   -1.5048    0.0841 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7474    1.8060   -0.1104 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5172   -0.8740    0.0380 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1011    1.4653   -0.0970 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4852    0.1284   -0.0230 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3342    1.6842    0.5402 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8667   -0.4905   -0.5715 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9106    2.1583   -0.1365 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4710    2.8566   -0.1686 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8664   -1.9015    0.0853 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8562    2.2448   -0.1450 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5392   -0.1334   -0.0149 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8113    1.9232    1.4734 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1876    2.4993   -0.1764 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4026    1.6556    0.7835 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0238   -1.3413    0.0997 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8354   -0.0034   -0.7275 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5354   -0.8685   -1.5451 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3101   -3.1319    0.7090 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2768   -3.5289    0.1742 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1 13  1  0  0  0  0
  1 14  1  0  0  0  0
  2  6  1  0  0  0  0
  2  8  2  0  0  0  0
  3  8  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  7  1  0  0  0  0
  4  9  2  0  0  0  0
  5  8  1  0  0  0  0
  5 10  2  0  0  0  0
  6  7  2  0  0  0  0
  7 15  1  0  0  0  0
  9 11  1  0  0  0  0
  9 16  1  0  0  0  0
 10 12  1  0  0  0  0
 10 17  1  0  0  0  0
 11 12  2  0  0  0  0
 11 18  1  0  0  0  0
 12 19  1  0  0  0  0
 13 20  1  0  0  0  0
 13 21  1  0  0  0  0
 13 22  1  0  0  0  0
 14 23  1  0  0  0  0
 14 24  1  0  0  0  0
 14 25  1  0  0  0  0
M  END
$$$$

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2024-07-15, 1591👍, 0💬