Molecule FYI-1014538

A

Molecule Summary:

ID: FYI-1014538
Names:
InChIKey: ZEFDHTWOXIYHHT-UHFFFAOYSA-N
SMILES: O=c4cc(N1CCOCC1)oc5c(c3ccc2OCCNc2c3)cccc45

Received at FYIcenter.com on: 2025-04-25

Molecule ID: FYI-1014538 Edit

Molecule Structure InChIKey: ZEFDHTWOXIYHHT-UHFFFAOYSA-N

Molecule Structure SMILES String: O=c4cc(N1CCOCC1)oc5c(c3ccc2OCCNc2c3)cccc45

Download SDF Download SVG Structure in 2D SDF:

FYI-1014538
FYIcenter.com

 27 31  0  0  0  0  0  0  0  0999 V2000
   10.9119    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    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
    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 O   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
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.9000    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  2  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  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 10  2  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 17  8  1  0  0  0  0
 18  7  2  0  0  0  0
 18  3  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
 25 24  1  0  0  0  0
 26 25  1  0  0  0  0
 26 21  1  0  0  0  0
 27 20  2  0  0  0  0
 27  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014538-3D
FYIcenter.com

 47 51  0  0  0  0  0  0  0  0999 V2000
   -1.7718    2.0034    0.0311 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3838    0.8382    0.0273 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3398   -0.2729   -0.0471 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9120   -1.5406    0.0385 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7457   -2.6540   -0.0648 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4255   -3.9520    0.5755 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7145   -5.1145   -0.3863 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0651   -5.0755   -0.8809 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3061   -3.8338   -1.5591 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1131   -2.6334   -0.6188 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5667   -1.8381    0.2318 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3962   -0.8634    0.0902 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7563   -1.2542    0.0328 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1985   -2.6794    0.0304 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3896   -3.0799    0.6667 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7967   -4.4181    0.6850 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9933   -5.3958    0.1084 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4542   -6.6895    0.1804 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7488   -7.5593   -0.7174 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2381   -7.3788   -0.5973 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8429   -6.0118   -0.9254 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7791   -5.0481   -0.4997 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4352   -3.6932   -0.5856 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7146   -0.2164   -0.0265 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3493    1.1345   -0.0332 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0072    1.4879   -0.0097 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0369    0.4861    0.0445 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3780    0.0048   -0.1573 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0590   -4.0512    1.4653 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.6352   -3.7646   -2.4250 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.7292   -4.6969    1.1675 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0176   -8.5867   -0.4505 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0976   -7.3811   -1.7427 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9237   -7.5864    0.4334 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7102   -8.0777   -1.2531 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5218   -5.8500   -1.8758 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5149   -3.4423   -1.1067 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7771   -0.4483   -0.0782 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1147    1.9064   -0.0683 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7155    2.5356   -0.0370 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2 27  1  0  0  0  0
  3  4  2  0  0  0  0
  3 28  1  0  0  0  0
  4  5  1  0  0  0  0
  4 11  1  0  0  0  0
  5  6  1  0  0  0  0
  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
  6 29  1  0  0  0  0
  6 30  1  0  0  0  0
  7  8  1  0  0  0  0
  7 31  1  0  0  0  0
  7 32  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 33  1  0  0  0  0
  9 34  1  0  0  0  0
 10 35  1  0  0  0  0
 10 36  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 27  2  0  0  0  0
 13 14  1  0  0  0  0
 13 24  2  0  0  0  0
 14 15  1  0  0  0  0
 14 23  2  0  0  0  0
 15 16  2  0  0  0  0
 15 37  1  0  0  0  0
 16 17  1  0  0  0  0
 16 38  1  0  0  0  0
 17 18  1  0  0  0  0
 17 22  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 39  1  0  0  0  0
 19 40  1  0  0  0  0
 20 21  1  0  0  0  0
 20 41  1  0  0  0  0
 20 42  1  0  0  0  0
 21 22  1  0  0  0  0
 21 43  1  0  0  0  0
 22 23  1  0  0  0  0
 23 44  1  0  0  0  0
 24 25  1  0  0  0  0
 24 45  1  0  0  0  0
 25 26  2  0  0  0  0
 25 46  1  0  0  0  0
 26 27  1  0  0  0  0
 26 47  1  0  0  0  0
M  END
$$$$

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2025-05-12, 993👍, 0💬