Molecule FYI-1002332

A

Molecule Summary:

ID: FYI-1002332
Names:
InChIKey: SZJFVNBIRNREDK-UHFFFAOYSA-N
SMILES: Cc5cccc(c3nnc4ccc(N2CCC(C(=O)N1CCCCC1)CC2)nn34)c5

Received at FYIcenter.com on: 2023-02-27

Molecule ID: FYI-1002332 Edit

Molecule Structure InChIKey: SZJFVNBIRNREDK-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc5cccc(c3nnc4ccc(N2CCC(C(=O)N1CCCCC1)CC2)nn34)c5

Download SDF Download SVG Structure in 2D SDF:

FYI-1002332
FYIcenter.com

 30 34  0  0  0  0  0  0  0  0999 V2000
    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2434    0.2674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.0663    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.2434    2.5326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6762    3.8641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0455    4.1552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4781    5.4866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5414    6.5271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1719    6.2360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7393    4.9045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2351    7.2764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.1000    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  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  7  3  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  2  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 13  8  1  0  0  0  0
 14 12  1  0  0  0  0
 15 28  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 18  4  1  0  0  0  0
 19 18  2  0  0  0  0
 19  1  1  0  0  0  0
 20  1  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
 25 20  1  0  0  0  0
 26 23  1  0  0  0  0
 27 26  2  0  0  0  0
 28 26  1  0  0  0  0
 29 28  1  0  0  0  0
 30 29  1  0  0  0  0
 17 30  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002332-3D
FYIcenter.com

 58 62  0     0  0  0  0  0  0999 V2000
   -4.8038   -1.7664   -0.7337 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5573    0.2547    0.1295 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4627   -1.0575    0.7729 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7351   -0.6842    0.1813 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8943   -1.2607   -0.2213 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3856   -2.7542   -0.8279 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9791   -1.5084   -0.8533 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2976   -0.5878    0.6646 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7215   -1.9557    1.0431 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3185    0.1830   -0.2262 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3327   -1.8218    1.6637 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9375    0.2780    0.4184 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6170   -0.7603   -0.0447 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3806    1.4403    0.9774 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8621    0.1606   -0.5289 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6406    2.7183    0.1828 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1491    1.4129   -1.3528 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0036    2.6765   -0.5064 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7418   -1.5228    0.3702 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8851   -3.0061    0.1552 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0677   -3.4878   -0.2434 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1359   -2.5949   -0.4476 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0740   -0.6287   -0.4885 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2691    0.7967   -0.3780 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2271    1.3038    0.5000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4997    1.6675   -1.1496 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4158    2.6818    0.6064 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6882    3.0455   -1.0431 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6464    3.5527   -0.1653 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4397    3.2249    1.5450 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4264   -0.0758    1.6203 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3923   -2.4672    1.7442 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6440   -2.5992    0.1567 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6964    1.1911   -0.4313 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2312   -0.3191   -1.1992 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4131   -1.2797    2.6150 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9440   -2.8091    1.9292 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2613    0.7790   -0.2840 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9810    0.8999    1.3206 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3886    1.5263    1.4150 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0943    1.3536    1.8053 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6165    0.0370    0.2571 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9118   -0.7236   -1.1722 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8583    2.8408   -0.5766 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5873    3.5880    0.8471 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4481    1.4627   -2.1954 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1593    1.3598   -1.7732 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1290    3.5635   -1.1372 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7972    2.7037    0.2502 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0374   -3.6689    0.2704 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2062   -4.5468   -0.4284 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8273    0.6282    1.1061 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7520    1.2922   -1.8443 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0896    3.7236   -1.6444 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7825    4.6283   -0.0905 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8268    4.1882    1.1959 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2962    2.5472    1.6285 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0024    3.3631    2.5388 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  2  0  0  0  0
  2 13  1  0  0  0  0
  2 14  1  0  0  0  0
  2 15  1  0  0  0  0
  3 11  1  0  0  0  0
  3 12  1  0  0  0  0
  3 19  1  0  0  0  0
  4  5  1  0  0  0  0
  4 19  2  0  0  0  0
  5 22  1  0  0  0  0
  5 23  1  0  0  0  0
  6  7  1  0  0  0  0
  6 22  2  0  0  0  0
  7 23  2  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 13  1  0  0  0  0
  8 31  1  0  0  0  0
  9 11  1  0  0  0  0
  9 32  1  0  0  0  0
  9 33  1  0  0  0  0
 10 12  1  0  0  0  0
 10 34  1  0  0  0  0
 10 35  1  0  0  0  0
 11 36  1  0  0  0  0
 11 37  1  0  0  0  0
 12 38  1  0  0  0  0
 12 39  1  0  0  0  0
 14 16  1  0  0  0  0
 14 40  1  0  0  0  0
 14 41  1  0  0  0  0
 15 17  1  0  0  0  0
 15 42  1  0  0  0  0
 15 43  1  0  0  0  0
 16 18  1  0  0  0  0
 16 44  1  0  0  0  0
 16 45  1  0  0  0  0
 17 18  1  0  0  0  0
 17 46  1  0  0  0  0
 17 47  1  0  0  0  0
 18 48  1  0  0  0  0
 18 49  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 50  1  0  0  0  0
 21 22  1  0  0  0  0
 21 51  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  2  0  0  0  0
 25 27  2  0  0  0  0
 25 52  1  0  0  0  0
 26 28  1  0  0  0  0
 26 53  1  0  0  0  0
 27 29  1  0  0  0  0
 27 30  1  0  0  0  0
 28 29  2  0  0  0  0
 28 54  1  0  0  0  0
 29 55  1  0  0  0  0
 30 56  1  0  0  0  0
 30 57  1  0  0  0  0
 30 58  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-04-04, 985👍, 0💬