Molecule FYI-1006261

A

Molecule Summary:

ID: FYI-1006261
Names:
InChIKey: UWLXMDBDYJMMAM-UHFFFAOYSA-N
SMILES: Oc5ccc4NC2C(CCN3CC1CC(O)OCC1CC23)c4c5

Received at FYIcenter.com on: 2023-12-06

Molecule ID: FYI-1006261 Edit

Molecule Structure InChIKey: UWLXMDBDYJMMAM-UHFFFAOYSA-N

Molecule Structure SMILES String: Oc5ccc4NC2C(CCN3CC1CC(O)OCC1CC23)c4c5

Download SDF Download SVG Structure in 2D SDF:

FYI-1006261
FYIcenter.com

 23 27  0  0  0  0  0  0  0  0999 V2000
    8.6011   10.8568    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3887   10.1568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1764   10.8568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9638   10.1568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9638    8.7568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9235    7.8201    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4929    6.5411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8853    6.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7081    5.5548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1387    4.2759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7464    4.1296    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1770    2.8505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7846    2.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2152    1.4252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8229    1.2789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2534    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4115    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5694    3.6905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9617    3.8368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5312    5.1159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9235    5.2622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1764    8.0568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3887    8.7568    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  3  1  0  0  0  0
  5  4  2  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  1  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 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 15  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 19 13  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
 21  7  1  0  0  0  0
 21 11  1  0  0  0  0
 22  8  1  0  0  0  0
 22  5  1  0  0  0  0
 23 22  2  0  0  0  0
 23  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006261-3D
FYIcenter.com

 47 51  0  0  1  0  0  0  0  0999 V2000
    1.4341   -0.3431    0.7717 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7952   -0.0756    0.7500 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0141    1.5686    0.5220 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5855    1.8410    0.1696 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8847    0.3839    0.1933 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8499   -0.0514   -1.2486 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6619    0.7275   -0.4488 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.5946   -0.2954    0.8791 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.5793    0.7162    1.6079 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9319    2.0714    1.9456 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7010    2.4676    1.1849 N   0  0  3  0  0  0  0  0  0  0  0  0
    5.4557    1.8804    2.1636 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4679    0.4611    1.5998 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.2906   -0.4466    2.7827 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6206   -2.0335    2.0945 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.4373   -2.3997    2.7917 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3849   -2.3570    0.3972 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1593   -1.4990   -0.9662 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1825    0.0985   -0.5931 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.2943    1.3397   -1.6934 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7907    2.0514   -0.5625 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.9828   -1.0666    0.6151 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3354   -1.2864    0.8265 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9551    0.4088    0.3887 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2384    2.3100    0.4428 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8062    2.8802   -0.1286 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0861   -1.0438   -1.1602 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6566    0.8316   -0.8998 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1664   -0.2642    1.8999 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4616    0.9222    0.9755 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0438    0.2477    2.4864 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6656    2.8820    1.8997 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7114    2.0160    3.0216 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7971    2.7307    2.3934 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8525    1.5649    3.1398 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2285   -0.1208    2.1743 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4412    0.2185    3.0300 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8033   -0.6504    3.7296 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3606   -2.7955    2.3892 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1888   -3.2361    2.3649 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2806   -1.2357   -1.5709 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7712   -2.2709   -1.4452 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3361    0.5999   -1.1745 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6800    2.1915   -2.0347 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6165    0.8335   -2.6200 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2849    2.8776   -1.0838 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2753   -2.3940    0.7677 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 24  1  0  0  0  0
  2  3  1  0  0  0  0
  2 23  2  0  0  0  0
  3  4  2  0  0  0  0
  3 25  1  0  0  0  0
  4  5  1  0  0  0  0
  4 26  1  0  0  0  0
  5  6  1  0  0  0  0
  5 22  2  0  0  0  0
  6  7  1  0  0  0  0
  6 27  1  0  0  0  0
  7  8  1  0  0  0  0
  7 21  1  0  0  0  0
  7 28  1  0  0  0  0
  8  9  1  0  0  0  0
  8 22  1  0  0  0  0
  8 29  1  0  0  0  0
  9 10  1  0  0  0  0
  9 30  1  0  0  0  0
  9 31  1  0  0  0  0
 10 11  1  0  0  0  0
 10 32  1  0  0  0  0
 10 33  1  0  0  0  0
 11 12  1  0  0  0  0
 11 21  1  0  0  0  0
 12 13  1  0  0  0  0
 12 34  1  0  0  0  0
 12 35  1  0  0  0  0
 13 14  1  0  0  0  0
 13 19  1  0  0  0  0
 13 36  1  0  0  0  0
 14 15  1  0  0  0  0
 14 37  1  0  0  0  0
 14 38  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 39  1  0  0  0  0
 16 40  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 41  1  0  0  0  0
 18 42  1  0  0  0  0
 19 20  1  0  0  0  0
 19 43  1  0  0  0  0
 20 21  1  0  0  0  0
 20 44  1  0  0  0  0
 20 45  1  0  0  0  0
 21 46  1  0  0  0  0
 22 23  1  0  0  0  0
 23 47  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-12-14, 264👍, 0💬