Molecule Editor

Molecule ID: FYI-1016373 Edit

Molecule Structure InChIKey: ALDZUKAAADGRDQ-UHFFFAOYSA-N

Molecule Structure SMILES String: S=C(NC1CCCCC1)N(Cc2ccccc2)Cc3ccccc3

Download SDF Download SVG Structure in 2D SDF:

FYI-1016373
FYIcenter.com

 24 26  0  0  0  0  0  0  0  0999 V2000
   10.9120    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.2000    0.0000 N   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
    6.0623    6.3000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    4.2000    0.0000 N   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
    6.0623    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    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
    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.8000    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
    2.4249    4.2000    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
    1.2125    2.1000    0.0000 C   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
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  6  1  1  0  0  0  0
  7  4  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  8  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 17 12  1  0  0  0  0
 18 10  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  2  0  0  0  0
 21 20  1  0  0  0  0
 22 21  2  0  0  0  0
 23 22  1  0  0  0  0
 24 23  2  0  0  0  0
 24 19  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016373-3D
FYIcenter.com

 50 52  0     0  0  0  0  0  0999 V2000
    0.3312   -0.4709   -2.8533 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.2623   -1.6261   -0.4002 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3130    0.6717   -0.4385 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7708   -2.9031   -0.8495 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1280   -4.0565   -0.0718 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2994   -2.9520   -0.7531 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6242   -4.1368    1.3718 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7920   -3.0341    0.6916 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1471   -4.1959    1.4414 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0857   -0.4710   -1.1780 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0441    2.0343   -0.8376 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1000    0.5922    0.7940 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3696    2.4560   -0.2725 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5759    0.5854    0.5187 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4206    3.0818    0.9677 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2696    1.7885    0.4586 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5328    2.2161   -0.9947 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2342   -0.6236    0.3262 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6519    3.4735    1.4929 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6408    1.7825    0.2026 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7642    2.6077   -0.4693 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6054   -0.6296    0.0701 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8237    3.2364    0.7745 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3085    0.5735    0.0084 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4916   -3.0429   -1.8986 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9641   -3.9559   -0.0755 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3620   -5.0024   -0.5771 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6609   -3.8344   -1.2967 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7506   -2.0780   -1.2369 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2626   -3.2743    1.9437 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2029   -5.0277    1.8517 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5720   -2.0941    1.2123 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8815   -3.1523    0.7004 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4693   -4.1836    2.4887 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4945   -5.1436    1.0118 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2311   -1.5204    0.6038 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7395    2.7347   -0.5287 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0772    2.1224   -1.9281 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8488    1.4315    1.4515 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8561   -0.2913    1.3874 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5169    3.2855    1.5343 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.5058    1.7369   -1.9680 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.1889    2.7189    0.1570 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6765    2.4252   -1.0295 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1256   -1.5710   -0.0809 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7824    3.5423    1.1829 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3762    0.5688   -0.1903 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  2  0  0  0  0
  2  4  1  0  0  0  0
  2 10  1  0  0  0  0
  2 36  1  0  0  0  0
  3 10  1  0  0  0  0
  3 11  1  0  0  0  0
  3 12  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 25  1  0  0  0  0
  5  7  1  0  0  0  0
  5 26  1  0  0  0  0
  5 27  1  0  0  0  0
  6  8  1  0  0  0  0
  6 28  1  0  0  0  0
  6 29  1  0  0  0  0
  7  9  1  0  0  0  0
  7 30  1  0  0  0  0
  7 31  1  0  0  0  0
  8  9  1  0  0  0  0
  8 32  1  0  0  0  0
  8 33  1  0  0  0  0
  9 34  1  0  0  0  0
  9 35  1  0  0  0  0
 11 13  1  0  0  0  0
 11 37  1  0  0  0  0
 11 38  1  0  0  0  0
 12 14  1  0  0  0  0
 12 39  1  0  0  0  0
 12 40  1  0  0  0  0
 13 15  2  0  0  0  0
 13 17  1  0  0  0  0
 14 16  2  0  0  0  0
 14 18  1  0  0  0  0
 15 19  1  0  0  0  0
 15 41  1  0  0  0  0
 16 20  1  0  0  0  0
 16 42  1  0  0  0  0
 17 21  2  0  0  0  0
 17 43  1  0  0  0  0
 18 22  2  0  0  0  0
 18 44  1  0  0  0  0
 19 23  2  0  0  0  0
 19 45  1  0  0  0  0
 20 24  2  0  0  0  0
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 21 23  1  0  0  0  0
 21 47  1  0  0  0  0
 22 24  1  0  0  0  0
 22 48  1  0  0  0  0
 23 49  1  0  0  0  0
 24 50  1  0  0  0  0
M  END
$$$$