Molecule Editor

Molecule ID: FYI-1016308 Edit

Molecule Structure InChIKey: IXFUMGKEKOYISN-UHFFFAOYSA-N

Molecule Structure SMILES String: C=C(C)C2CC=C(N(C(C)CC)C(C)c1ccccc1)CC2

Download SDF Download SVG Structure in 2D SDF:

FYI-1016308
FYIcenter.com

 51 52  0  0  0  0  0  0  0  0999 V2000
    3.6715    3.5329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6715    2.1197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8953    1.4131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4476    1.4131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8953    4.2394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8953    5.6526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6715    6.3592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6715    7.7723    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8953    8.4789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1191    7.7723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3429    8.4789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9151    9.7161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4476    8.4789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2238    7.7723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4476    9.8920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2238   10.5986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2238   12.0118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4476   12.7183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6715   12.0118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6715   10.5986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4476    5.6526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4476    4.2394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6019    2.4730    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1191    0.7066    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1887    0.1893    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2238    2.1197    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4476    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6018    3.0976    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3084    4.2395    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1191    6.3592    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8711    7.0882    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3652    6.6305    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8257    6.5485    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7784    9.6207    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5668    9.1855    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0495    7.2551    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5295    9.8101    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8953   11.3052    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2374    9.9330    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5172    8.9961    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.0657    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6244    6.3719    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.8920    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   12.7183    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4476   14.1315    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8953   12.7183    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8559   10.2424    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9601    6.9391    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0345    5.6526    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0345    4.2395    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7411    3.0156    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
  2  4  2  0  0  0  0
  1  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
  9 12  1  0  0  0  0
  8 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 15 20  1  0  0  0  0
  7 21  1  0  0  0  0
 21 22  1  0  0  0  0
  1 22  1  0  0  0  0
  3 23  1  0  0  0  0
  3 24  1  0  0  0  0
  3 25  1  0  0  0  0
  4 26  1  0  0  0  0
  4 27  1  0  0  0  0
  5 28  1  0  0  0  0
  5 29  1  0  0  0  0
  6 30  1  0  0  0  0
  9 31  1  0  0  0  0
 10 32  1  0  0  0  0
 10 33  1  0  0  0  0
 11 34  1  0  0  0  0
 11 35  1  0  0  0  0
 11 36  1  0  0  0  0
 12 37  1  0  0  0  0
 12 38  1  0  0  0  0
 12 39  1  0  0  0  0
 14 40  1  0  0  0  0
 14 41  1  0  0  0  0
 14 42  1  0  0  0  0
 16 43  1  0  0  0  0
 17 44  1  0  0  0  0
 18 45  1  0  0  0  0
 19 46  1  0  0  0  0
 20 47  1  0  0  0  0
 21 48  1  0  0  0  0
 21 49  1  0  0  0  0
 22 50  1  0  0  0  0
 22 51  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016308-3D
FYIcenter.com

 53 54  0  0  1  0  0  0  0  0999 V2000
    3.2320    0.6556   -3.4577 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0641    0.0497   -2.5959 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5460    0.3201   -2.6846 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6205   -0.8941   -1.4716 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.1972   -0.6829   -0.9021 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1040   -1.4957   -1.5469 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2891   -2.4832   -2.4452 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2303   -3.1002   -3.1526 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4959   -4.3049   -2.6163 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.4040   -5.5524   -2.6174 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1073   -4.1321   -1.2096 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2515   -3.1355   -1.1041 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5473   -2.3366   -4.1965 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.0101   -0.9330   -4.4853 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6267   -3.0310   -5.5636 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6703   -2.6744   -6.4371 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6789   -3.0919   -7.7680 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6575   -3.9100   -8.2386 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3572   -4.3110   -7.3763 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3891   -3.8699   -6.0467 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7115   -2.8562   -2.8405 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7880   -2.3711   -1.8578 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5984    1.3125   -4.2408 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1612    0.5072   -3.4206 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8021    0.9362   -3.5551 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1118   -0.6116   -2.7672 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8837    0.8587   -1.7925 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3040   -0.6858   -0.6351 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9284    0.3800   -0.9437 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2067   -0.9489    0.1622 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0958   -1.1957   -1.2845 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3315   -4.5404   -3.2896 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4552   -5.3320   -2.4437 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3280   -6.0757   -3.5754 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1086   -6.2675   -1.8403 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3356   -3.8948   -0.4702 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5298   -5.1012   -0.9051 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9238   -2.1103   -1.2792 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6798   -3.1791   -0.0956 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0522   -3.3720   -1.8115 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5711   -2.2164   -3.8200 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0622   -0.9792   -4.7859 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0898   -0.2745   -3.6197 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5247   -0.4378   -5.3063 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4510   -1.9919   -6.1047 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4604   -2.7531   -8.4443 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6469   -4.2238   -9.2790 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1600   -4.9491   -7.7443 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2195   -4.1452   -5.4062 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9145   -2.4505   -3.8387 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8211   -3.9396   -2.9257 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7809   -2.5583   -2.2825 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7301   -2.9773   -0.9427 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1 23  1  0  0  0  0
  1 24  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3 25  1  0  0  0  0
  3 26  1  0  0  0  0
  3 27  1  0  0  0  0
  4  5  1  0  0  0  0
  4 22  1  0  0  0  0
  4 28  1  0  0  0  0
  5  6  1  0  0  0  0
  5 29  1  0  0  0  0
  5 30  1  0  0  0  0
  6  7  2  0  0  0  0
  6 31  1  0  0  0  0
  7  8  1  0  0  0  0
  7 21  1  0  0  0  0
  8  9  1  0  0  0  0
  8 13  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 32  1  0  0  0  0
 10 33  1  0  0  0  0
 10 34  1  0  0  0  0
 10 35  1  0  0  0  0
 11 12  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
 12 40  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 41  1  0  0  0  0
 14 42  1  0  0  0  0
 14 43  1  0  0  0  0
 14 44  1  0  0  0  0
 15 16  1  0  0  0  0
 15 20  2  0  0  0  0
 16 17  2  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
 18 19  2  0  0  0  0
 18 47  1  0  0  0  0
 19 20  1  0  0  0  0
 19 48  1  0  0  0  0
 20 49  1  0  0  0  0
 21 22  1  0  0  0  0
 21 50  1  0  0  0  0
 21 51  1  0  0  0  0
 22 52  1  0  0  0  0
 22 53  1  0  0  0  0
M  END
$$$$