Molecule Editor

Molecule ID: FYI-1015464 Edit

Molecule Structure InChIKey: SRXRXVFBOMYTDK-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCCCCCNC2CN=C(C(=O)Nc1ccc(CC)cc1)C=N2

Download SDF Download SVG Structure in 2D SDF:

FYI-1015464
FYIcenter.com

 26 27  0  0  0  0  0  0  0  0999 V2000
   12.1244    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1866    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6114    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    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
    1.2124    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    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
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  1  1  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
 15 10  1  0  0  0  0
 16 13  1  0  0  0  0
 17 16  2  0  0  0  0
 18 16  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
 25 22  1  0  0  0  0
 26 25  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015464-3D
FYIcenter.com

 58 59  0  0  1  0  0  0  0  0999 V2000
    0.9588    1.4629    7.7113 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4707    1.5988    7.7635 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9780    2.5007    6.6416 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4962    2.6406    6.6898 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9951    3.5439    5.5640 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5136    3.6659    5.6109 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0399    4.5368    4.4677 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5601    4.6912    4.5223 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2133    3.3890    4.4370 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6626    3.4693    4.5644 C   0  0  3  0  0  0  0  0  0  0  0  0
   11.1655    3.9649    5.9523 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6874    3.1012    7.0653 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.7030    1.8395    6.7300 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2663    0.7967    7.7396 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4809   -0.3695    7.4296 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6627    1.2813    8.8842 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2034    0.4855    9.9584 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5527   -0.8599   10.1005 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0399   -1.6377   11.1419 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1579   -1.0828   12.0698 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5742   -1.9512   13.1550 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4364   -1.9818   14.4069 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8385    0.2774   11.9628 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3638    1.0592   10.9196 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1902    1.3805    5.3704 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2031    2.1284    4.3163 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6070    0.8156    8.5199 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6388    1.0255    6.7598 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4752    2.4391    7.8197 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9275    0.6057    7.6800 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7648    2.0110    8.7357 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5156    3.4916    6.7263 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6788    2.0859    5.6712 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9610    1.6507    6.6020 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8010    3.0552    7.6585 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5401    4.5376    5.6535 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6884    3.1309    4.5954 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9516    2.6622    5.5535 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8203    4.0958    6.5726 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5870    5.5340    4.5335 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7390    4.1131    3.5018 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8058    5.1922    5.4639 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8891    5.3386    3.7016 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0115    2.9564    3.5357 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0672    4.1299    3.7886 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8351    4.9912    6.1381 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2628    3.9825    5.9679 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4865    2.2827    8.9017 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2392   -1.3482    9.4173 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3306   -2.6815   11.2085 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4538   -2.9736   12.7737 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5644   -1.6043   13.4044 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4448   -2.3499   14.1895 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9897   -2.6455   15.1543 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5285   -0.9846   14.8493 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1623    0.7352   12.6816 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0759    2.1054   10.8568 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5599    0.3446    5.3293 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 27  1  0  0  0  0
  1 28  1  0  0  0  0
  1 29  1  0  0  0  0
  2  3  1  0  0  0  0
  2 30  1  0  0  0  0
  2 31  1  0  0  0  0
  3  4  1  0  0  0  0
  3 32  1  0  0  0  0
  3 33  1  0  0  0  0
  4  5  1  0  0  0  0
  4 34  1  0  0  0  0
  4 35  1  0  0  0  0
  5  6  1  0  0  0  0
  5 36  1  0  0  0  0
  5 37  1  0  0  0  0
  6  7  1  0  0  0  0
  6 38  1  0  0  0  0
  6 39  1  0  0  0  0
  7  8  1  0  0  0  0
  7 40  1  0  0  0  0
  7 41  1  0  0  0  0
  8  9  1  0  0  0  0
  8 42  1  0  0  0  0
  8 43  1  0  0  0  0
  9 10  1  0  0  0  0
  9 44  1  0  0  0  0
 10 11  1  0  0  0  0
 10 26  1  0  0  0  0
 10 45  1  0  0  0  0
 11 12  1  0  0  0  0
 11 46  1  0  0  0  0
 11 47  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 25  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 48  1  0  0  0  0
 17 18  1  0  0  0  0
 17 24  2  0  0  0  0
 18 19  2  0  0  0  0
 18 49  1  0  0  0  0
 19 20  1  0  0  0  0
 19 50  1  0  0  0  0
 20 21  1  0  0  0  0
 20 23  2  0  0  0  0
 21 22  1  0  0  0  0
 21 51  1  0  0  0  0
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 22 53  1  0  0  0  0
 22 54  1  0  0  0  0
 22 55  1  0  0  0  0
 23 24  1  0  0  0  0
 23 56  1  0  0  0  0
 24 57  1  0  0  0  0
 25 26  2  0  0  0  0
 25 58  1  0  0  0  0
M  END
$$$$