Molecule FYI-1005822

A

Molecule Summary:

ID: FYI-1005822
Names:
InChIKey: FFMPNQQBEHOKAB-UHFFFAOYSA-N
SMILES: NC(=O)N4CCCc3cc(c2cncc(C1=CCOCC1)c2)cnc34

Received at FYIcenter.com on: 2023-11-17

Molecule ID: FYI-1005822 Edit

Molecule Structure InChIKey: FFMPNQQBEHOKAB-UHFFFAOYSA-N

Molecule Structure SMILES String: NC(=O)N4CCCc3cc(c2cncc(C1=CCOCC1)c2)cnc34

Download SDF Download SVG Structure in 2D SDF:

FYI-1005822
FYIcenter.com

 25 28  0  0  0  0  0  0  0  0999 V2000
    4.8498   10.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   12.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   10.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    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
    2.4249    4.9000    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
    1.2125    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    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
    3.6373    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  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  1  0  0  0  0
 12 11  2  0  0  0  0
 13 12  1  0  0  0  0
 14 13  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
 18 17  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
 21 16  1  0  0  0  0
 22 15  2  0  0  0  0
 22 11  1  0  0  0  0
 23 10  2  0  0  0  0
 24 23  1  0  0  0  0
 25 24  2  0  0  0  0
 25  8  1  0  0  0  0
 25  4  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005822-3D
FYIcenter.com

 45 48  0     0  0  0  0  0  0999 V2000
   -6.3116   -1.9564    0.9023 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3392    1.6622    0.8446 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5920   -0.4736    0.1919 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8665    1.2207    0.2737 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3673    2.9499   -0.7829 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8257   -0.0429    0.8395 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0192   -2.5797   -1.0430 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5768   -2.4555   -0.5962 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9286   -1.8900   -0.0399 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2420   -1.0146   -0.3438 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2101   -0.0722    0.0331 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9061   -0.6019   -0.4441 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5584    0.7169   -0.1983 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8102    1.1636   -0.3033 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3269   -0.1323    0.1238 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5703    1.5837    0.1525 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1675   -1.6108   -0.1391 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1766    0.7619   -0.1484 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5546    0.4658    0.6322 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8689    0.3014   -0.0405 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5232   -2.3067   -0.2332 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4957    0.3308    0.6052 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6609   -0.5693    0.9012 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1100    2.4665   -0.6675 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3706    2.0826   -0.5197 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2946   -3.6357   -1.1395 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1459   -2.1188   -2.0314 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9263   -2.8725   -1.3740 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4092   -3.0267    0.3247 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9015   -2.3948    0.9333 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9474   -1.9715   -0.4299 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1649   -1.3389   -0.7452 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6178   -1.7913   -1.0700 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5971   -2.0527    0.6874 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3979    2.6294    0.3872 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6848   -0.7184    0.2859 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0573   -2.0406   -1.1538 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3867   -3.3929   -0.2304 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6521    1.3842    0.8167 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0599   -0.3368    1.8936 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4607   -0.4023    0.1714 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3476    3.1993   -0.9131 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3574    2.5160   -0.6479 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0595   -1.0275    0.8243 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5739    0.5754    1.1365 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 21  1  0  0  0  0
  1 23  1  0  0  0  0
  2 19  2  0  0  0  0
  3  9  1  0  0  0  0
  3 11  1  0  0  0  0
  3 19  1  0  0  0  0
  4 11  1  0  0  0  0
  4 16  2  0  0  0  0
  5 24  2  0  0  0  0
  5 25  1  0  0  0  0
  6 19  1  0  0  0  0
  6 44  1  0  0  0  0
  6 45  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 26  1  0  0  0  0
  7 27  1  0  0  0  0
  8 10  1  0  0  0  0
  8 28  1  0  0  0  0
  8 29  1  0  0  0  0
  9 30  1  0  0  0  0
  9 31  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 32  1  0  0  0  0
 13 14  1  0  0  0  0
 13 16  1  0  0  0  0
 14 20  2  0  0  0  0
 14 24  1  0  0  0  0
 15 17  1  0  0  0  0
 15 18  1  0  0  0  0
 15 22  2  0  0  0  0
 16 35  1  0  0  0  0
 17 21  1  0  0  0  0
 17 33  1  0  0  0  0
 17 34  1  0  0  0  0
 18 20  1  0  0  0  0
 18 25  2  0  0  0  0
 20 36  1  0  0  0  0
 21 37  1  0  0  0  0
 21 38  1  0  0  0  0
 22 23  1  0  0  0  0
 22 39  1  0  0  0  0
 23 40  1  0  0  0  0
 23 41  1  0  0  0  0
 24 42  1  0  0  0  0
 25 43  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-11-23, 2838👍, 0💬