Molecule Editor

Molecule ID: FYI-1016303 Edit

Molecule Structure InChIKey: BHBNWSAJKMCNQY-UHFFFAOYSA-N

Molecule Structure SMILES String: C=C(C)C3CC=C(CN(C(C)c1ccccc1)C(C)c2ccccc2)CC3

Download SDF Download SVG Structure in 2D SDF:

FYI-1016303
FYIcenter.com

 58 60  0  0  0  0  0  0  0  0999 V2000
    7.2332    4.8721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0277    5.5681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0277    6.9602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8221    7.6562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6166    6.9602    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6166    5.5681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4111    4.8721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6166    4.1761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4111    3.4801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4111    2.0880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6166    1.3920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8221    2.0880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8221    3.4801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4111    7.6562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2055    6.9602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4111    9.0482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2055    9.7442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2055   11.1362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4111   11.8323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6166   11.1362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6166    9.7442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2332    7.6562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4387    6.9602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4387    5.5681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6443    4.8721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6443    3.4801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8498    5.5681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8593    3.7070    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5372    3.6666    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2851    4.4434    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6823    5.6489    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5182    8.8617    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0795    8.7809    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8221    4.8721    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2345    3.4459    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0445    3.9563    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9307    6.1393    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0419    4.4832    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2055    1.3920    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6166    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0277    1.3920    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0277    4.1761    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5095    8.1657    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.2641    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5994    5.5820    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.0482    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   11.8323    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4111   13.2243    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8221   11.8323    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8221    9.0482    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2332    9.0482    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1347    8.1657    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8307    6.9601    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3921    3.3993    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6443    2.0880    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0363    3.4801    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8498    6.9602    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0553    4.8721    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
  8 13  1  0  0  0  0
  5 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 16 21  1  0  0  0  0
  3 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
  1 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  2  0  0  0  0
  1 28  1  0  0  0  0
  1 29  1  0  0  0  0
  2 30  1  0  0  0  0
  2 31  1  0  0  0  0
  4 32  1  0  0  0  0
  4 33  1  0  0  0  0
  6 34  1  0  0  0  0
  7 35  1  0  0  0  0
  7 36  1  0  0  0  0
  7 37  1  0  0  0  0
  9 38  1  0  0  0  0
 10 39  1  0  0  0  0
 11 40  1  0  0  0  0
 12 41  1  0  0  0  0
 13 42  1  0  0  0  0
 15 43  1  0  0  0  0
 15 44  1  0  0  0  0
 15 45  1  0  0  0  0
 17 46  1  0  0  0  0
 18 47  1  0  0  0  0
 19 48  1  0  0  0  0
 20 49  1  0  0  0  0
 21 50  1  0  0  0  0
 22 51  1  0  0  0  0
 23 52  1  0  0  0  0
 23 53  1  0  0  0  0
 26 54  1  0  0  0  0
 26 55  1  0  0  0  0
 26 56  1  0  0  0  0
 27 57  1  0  0  0  0
 27 58  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016303-3D
FYIcenter.com

 60 62  0  0  1  0  0  0  0  0999 V2000
    3.7075   -1.6561   -2.7144 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0650   -1.7756   -1.5382 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5596   -1.8245   -1.5317 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7574   -1.8753   -0.1660 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.2997   -1.9528   -0.2121 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9355   -0.6214   -0.5059 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3234    0.5646   -0.3084 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9871    1.8689   -0.6851 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1954    2.8909    0.3660 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0980    2.4445    1.4908 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.4874    1.3891    2.4371 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5366    2.1037    1.1106 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5348    3.0930    1.1857 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8386    2.8366    0.7616 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1818    1.5753    0.2870 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2268    0.5658    0.2696 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9259    0.8253    0.6943 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6875    4.1661   -0.2833 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.7893    4.7237   -1.4120 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9180    5.3466    0.6690 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9631    6.2503    0.3939 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2558    7.2967    1.2679 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5017    7.4590    2.4274 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4307    6.6048    2.6873 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1209    5.5723    1.7999 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9000    0.6406    0.2022 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3978   -0.6953    0.7620 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1646   -1.5843   -3.6541 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7864   -1.6120   -2.7983 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1431   -1.5837   -2.5163 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1384   -1.0991   -0.8313 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2147   -2.8250   -1.2540 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4032   -2.8042    0.3008 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6301   -2.6952   -0.9472 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6828   -2.2985    0.7580 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9359   -0.6581   -0.9271 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2984    2.2692   -1.4361 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9253    1.6809   -1.2227 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1841    3.2905    2.1808 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3506    0.4061    1.9876 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5205    1.7244    2.8269 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1477    1.2274    3.2986 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2958    4.0867    1.5628 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5881    3.6226    0.8059 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1951    1.3732   -0.0502 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4953   -0.4308   -0.0706 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2141    0.0085    0.7072 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6522    3.9349   -0.7558 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7821    4.9568   -1.0510 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7099    4.0447   -2.2654 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2123    5.6495   -1.8243 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5694    6.1278   -0.5020 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0775    7.9733    1.0508 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7474    8.2525    3.1271 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8419    6.7339    3.5916 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2848    4.9109    2.0187 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2494    0.9526   -0.6250 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8071    1.4052    0.9804 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3225   -0.6435    0.9575 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660   -0.8627    1.7464 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  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  4  1  0  0  0  0
  3 30  1  0  0  0  0
  3 31  1  0  0  0  0
  3 32  1  0  0  0  0
  4  5  1  0  0  0  0
  4 27  1  0  0  0  0
  4 33  1  0  0  0  0
  5  6  1  0  0  0  0
  5 34  1  0  0  0  0
  5 35  1  0  0  0  0
  6  7  2  0  0  0  0
  6 36  1  0  0  0  0
  7  8  1  0  0  0  0
  7 26  1  0  0  0  0
  8  9  1  0  0  0  0
  8 37  1  0  0  0  0
  8 38  1  0  0  0  0
  9 10  1  0  0  0  0
  9 18  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 39  1  0  0  0  0
 11 40  1  0  0  0  0
 11 41  1  0  0  0  0
 11 42  1  0  0  0  0
 12 13  1  0  0  0  0
 12 17  2  0  0  0  0
 13 14  2  0  0  0  0
 13 43  1  0  0  0  0
 14 15  1  0  0  0  0
 14 44  1  0  0  0  0
 15 16  2  0  0  0  0
 15 45  1  0  0  0  0
 16 17  1  0  0  0  0
 16 46  1  0  0  0  0
 17 47  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 48  1  0  0  0  0
 19 49  1  0  0  0  0
 19 50  1  0  0  0  0
 19 51  1  0  0  0  0
 20 21  1  0  0  0  0
 20 25  2  0  0  0  0
 21 22  2  0  0  0  0
 21 52  1  0  0  0  0
 22 23  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 25  1  0  0  0  0
 24 55  1  0  0  0  0
 25 56  1  0  0  0  0
 26 27  1  0  0  0  0
 26 57  1  0  0  0  0
 26 58  1  0  0  0  0
 27 59  1  0  0  0  0
 27 60  1  0  0  0  0
M  END
$$$$