Molecule Editor

Molecule ID: FYI-1002110 Edit

Molecule Structure InChIKey: YVUQSNJEYSNKRX-UHFFFAOYSA-N

Molecule Structure SMILES String: O=c2[nH]c1ccccc1n2C5CCN(CCCC(c3ccc(F)cc3)c4ccc(F)cc4)CC5

Download SDF Download SVG Structure in 2D SDF:

FYI-1002110
FYIcenter.com

 34 38  0  0  0  0  0  0  0  0999 V2000
   15.5526    8.9552    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   14.3402    8.2552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1278    8.9552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9153    8.2552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9153    6.8552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1278    6.1552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3402    6.8552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7029    6.1552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4905    6.8552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2781    6.1552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0655    6.8552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8531    6.1552    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6407    6.8552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4282    6.1552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4282    4.7552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6407    4.0552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8531    4.7552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2158    4.0552    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9369    4.6246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6458    5.9941    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5843    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    2.3719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2674    1.0403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2043    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5736    0.2911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0062    1.6225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0695    2.6629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7029    4.7552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4905    4.0552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4905    2.6552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7029    1.9552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7029    0.5552    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   11.9153    2.6552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9153    4.0552    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  2  0  0  0  0
  7  2  1  0  0  0  0
  8  5  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 16  1  0  0  0  0
 17 12  1  0  0  0  0
 18 15  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  2  0  0  0  0
 21 19  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  2  0  0  0  0
 24 23  1  0  0  0  0
 25 24  2  0  0  0  0
 26 25  1  0  0  0  0
 27 26  2  0  0  0  0
 27 18  1  0  0  0  0
 27 22  1  0  0  0  0
 28  8  1  0  0  0  0
 29 28  2  0  0  0  0
 30 29  1  0  0  0  0
 31 30  2  0  0  0  0
 32 31  1  0  0  0  0
 33 31  1  0  0  0  0
 34 33  2  0  0  0  0
 34 28  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002110-3D
FYIcenter.com

 63 67  0     0  0  0  0  0  0999 V2000
   -6.3681   -3.9019   -1.6544 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0087    4.7200   -2.2840 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.7708   -2.1518   -1.1571 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5967   -0.1759    2.2855 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1091   -0.5254   -0.0533 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9856   -1.6485   -1.8157 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2093   -0.0619    0.9733 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9590    0.5665    0.3583 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8186   -1.1991    1.9175 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9520    0.9698    1.4368 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7840   -0.7368    2.9450 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4038    0.2142    3.2788 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6513    0.7643    2.5877 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4164   -0.0638   -0.2558 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2662   -0.2807    1.6454 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8110   -1.5230   -1.0205 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5938    0.1997    1.0042 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9489   -0.7585   -1.3402 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1490    0.8899    0.4196 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3471   -0.9137    0.2824 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4352    1.4251    0.1129 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2278   -0.5389   -1.8019 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4513    1.1307   -0.0307 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9847    0.4240   -1.1293 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7220   -0.8515    0.2199 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5654    2.6775    0.6747 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6262   -1.9434   -0.2824 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1662    1.2423   -1.2272 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4104   -1.8694   -0.4400 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4201    3.7994   -0.1414 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3146   -2.9613   -0.9425 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0207    2.3640   -2.0435 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7068   -2.9243   -1.0214 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1476    3.6427   -1.5005 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7095    0.7089    1.5705 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2377    1.4485   -0.2319 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4687   -0.1258   -0.3371 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4049   -2.0499    1.3626 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7087   -1.5750    2.4372 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3626    1.7923    2.0373 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0948    1.3620    0.8831 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4967   -1.6032    3.5531 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2403   -0.0017    3.6211 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6882   -0.6565    3.8827 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0089    0.9715    3.9683 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4558    1.7193    2.0959 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3855    0.9926    3.3720 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4437   -1.2054    2.2105 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5417   -0.5108    0.8561 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2422    0.4852    1.8476 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1138   -2.2762   -2.5998 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7575    1.4426    1.2645 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6359   -1.0823   -2.6458 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0646    1.8741    0.4723 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0002    0.6339   -1.4554 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2776   -0.0335    0.6682 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7826    2.8114    1.7300 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5446   -2.0028   -0.2598 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0335    0.2689   -1.6843 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4943   -1.8408   -0.5019 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5202    4.7950    0.2807 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7673   -3.7810   -1.3985 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8028    2.2430   -3.1006 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 33  1  0  0  0  0
  2 34  1  0  0  0  0
  3 16  2  0  0  0  0
  4 10  1  0  0  0  0
  4 11  1  0  0  0  0
  4 12  1  0  0  0  0
  5  7  1  0  0  0  0
  5 14  1  0  0  0  0
  5 16  1  0  0  0  0
  6 16  1  0  0  0  0
  6 18  1  0  0  0  0
  6 51  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 35  1  0  0  0  0
  8 10  1  0  0  0  0
  8 36  1  0  0  0  0
  8 37  1  0  0  0  0
  9 11  1  0  0  0  0
  9 38  1  0  0  0  0
  9 39  1  0  0  0  0
 10 40  1  0  0  0  0
 10 41  1  0  0  0  0
 11 42  1  0  0  0  0
 11 43  1  0  0  0  0
 12 13  1  0  0  0  0
 12 44  1  0  0  0  0
 12 45  1  0  0  0  0
 13 15  1  0  0  0  0
 13 46  1  0  0  0  0
 13 47  1  0  0  0  0
 14 18  1  0  0  0  0
 14 19  2  0  0  0  0
 15 17  1  0  0  0  0
 15 48  1  0  0  0  0
 15 49  1  0  0  0  0
 17 20  1  0  0  0  0
 17 21  1  0  0  0  0
 17 50  1  0  0  0  0
 18 22  2  0  0  0  0
 19 23  1  0  0  0  0
 19 52  1  0  0  0  0
 20 25  2  0  0  0  0
 20 27  1  0  0  0  0
 21 26  2  0  0  0  0
 21 28  1  0  0  0  0
 22 24  1  0  0  0  0
 22 53  1  0  0  0  0
 23 24  2  0  0  0  0
 23 54  1  0  0  0  0
 24 55  1  0  0  0  0
 25 29  1  0  0  0  0
 25 56  1  0  0  0  0
 26 30  1  0  0  0  0
 26 57  1  0  0  0  0
 27 31  2  0  0  0  0
 27 58  1  0  0  0  0
 28 32  2  0  0  0  0
 28 59  1  0  0  0  0
 29 33  2  0  0  0  0
 29 60  1  0  0  0  0
 30 34  2  0  0  0  0
 30 61  1  0  0  0  0
 31 33  1  0  0  0  0
 31 62  1  0  0  0  0
 32 34  1  0  0  0  0
 32 63  1  0  0  0  0
M  END
$$$$