Molecule FYI-1004124

A

Molecule Summary:

ID: FYI-1004124
Names:
InChIKey: YECJNSSLDYHDHK-INIZCTEOSA-N
SMILES: c4ccc(c3ccc(c2nc([C@H]1CCOC1)no2)cc3)cc4

Received at FYIcenter.com on: 2023-08-15

Molecule ID: FYI-1004124 Edit

Molecule Structure InChIKey: YECJNSSLDYHDHK-INIZCTEOSA-N

Molecule Structure SMILES String: c4ccc(c3ccc(c2nc([C@H]1CCOC1)no2)cc3)cc4

Download SDF Download SVG Structure in 2D SDF:

FYI-1004124
FYIcenter.com

 22 25  0  0  1  0  0  0  0  0999 V2000
   13.0984    5.8835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8860    6.5835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6735    5.8835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6735    4.4835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4611    3.7835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2487    4.4835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0362    3.7835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0362    2.3835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8238    1.6835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5449    2.2529    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6081    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2157    1.3588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5157    2.5712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1463    2.2802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2789    0.3185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3081    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6775    0.2911    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2487    1.6835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4611    2.3835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8860    3.7835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0984    4.4835    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  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  6  0  0  0
 13 12  1  0  0  0  0
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 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
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 18 17  1  0  0  0  0
 18  9  1  0  0  0  0
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 20 19  2  0  0  0  0
 20  5  1  0  0  0  0
 21  4  1  0  0  0  0
 22 21  2  0  0  0  0
 22  1  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004124-3D
FYIcenter.com

 38 41  0     1  0  0  0  0  0999 V2000
    5.1759   -2.1310   -0.3643 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9716    2.0206    0.2123 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5713   -0.0812   -0.2771 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3708    2.0199    0.1480 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0743    0.2527   -0.3200 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.6608   -0.2444    0.9902 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2621   -0.9729   -1.2086 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2865   -1.7130    1.0024 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6486    0.7459   -0.1449 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5822    0.7455   -0.0497 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1664    0.5139   -0.0353 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5866    0.0634   -0.0066 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3342   -0.7625   -0.2928 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7095    1.5649    0.2365 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7106   -0.9876   -0.2785 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0859    1.3397    0.2508 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0142   -0.1704    0.0085 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8923    0.8542   -0.3446 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5125   -1.4203    0.3760 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2689    0.6291   -0.3302 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8890   -1.6455    0.3904 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7671   -0.6208    0.0374 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6576    1.0914   -0.7204 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3144    0.2838    1.8838 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5242   -1.0523   -2.0124 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2622   -0.9760   -1.6567 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0297   -2.3292    1.5165 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3142   -1.8720    1.4804 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3301   -1.5947   -0.5134 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3574    2.5713    0.4485 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0552   -1.9906   -0.5149 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7276    2.1811    0.4975 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5500    1.8337   -0.6672 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8694   -2.2385    0.6882 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9529    1.4245   -0.6115 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2780   -2.6164    0.6830 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8389   -0.7963    0.0487 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1  8  1  0  0  0  0
  2  4  1  0  0  0  0
  2 10  1  0  0  0  0
  3  9  1  0  0  0  0
  3 10  2  0  0  0  0
  4  9  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  9  1  0  0  0  0
  5 23  1  0  0  0  0
  6  8  1  0  0  0  0
  6 24  1  0  0  0  0
  6 25  1  0  0  0  0
  7 26  1  0  0  0  0
  7 27  1  0  0  0  0
  8 28  1  0  0  0  0
  8 29  1  0  0  0  0
 10 11  1  0  0  0  0
 11 13  2  0  0  0  0
 11 14  1  0  0  0  0
 12 15  2  0  0  0  0
 12 16  1  0  0  0  0
 12 17  1  0  0  0  0
 13 15  1  0  0  0  0
 13 30  1  0  0  0  0
 14 16  2  0  0  0  0
 14 31  1  0  0  0  0
 15 32  1  0  0  0  0
 16 33  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 34  1  0  0  0  0
 19 21  2  0  0  0  0
 19 35  1  0  0  0  0
 20 22  2  0  0  0  0
 20 36  1  0  0  0  0
 21 22  1  0  0  0  0
 21 37  1  0  0  0  0
 22 38  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-08-25, 1552👍, 0💬