Molecule FYI-1007623

A

Molecule Summary:

ID: FYI-1007623
Names:
InChIKey: GNHQYAYXYYPYDV-UHFFFAOYSA-N
SMILES: N#CC4CC(NC(=O)c3cccc(c2ccc1OCCCc1c2)c3Cl)C4

Received at FYIcenter.com on: 2024-03-06

Molecule ID: FYI-1007623 Edit

Molecule Structure InChIKey: GNHQYAYXYYPYDV-UHFFFAOYSA-N

Molecule Structure SMILES String: N#CC4CC(NC(=O)c3cccc(c2ccc1OCCCc1c2)c3Cl)C4

Download SDF Download SVG Structure in 2D SDF:

FYI-1007623
FYIcenter.com

 26 29  0  0  0  0  0  0  0  0999 V2000
    8.9893    2.8000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.9893    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2017    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4143    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4143    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6267    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6267    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8391    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0515    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0515    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8391    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8391    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6267    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2017    6.3001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9893    7.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7769    6.3001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7769    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5645    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3520    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1396    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7873    4.5624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    3.2101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.5101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.8101    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7772    2.8478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5645    2.8000    0.0000 O   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  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11  6  2  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
 13  4  1  0  0  0  0
 14  3  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  2  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  3  0  0  0  0
 25 22  1  0  0  0  0
 25 20  1  0  0  0  0
 26 18  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007623-3D
FYIcenter.com

 45 48  0  0  1  0  0  0  0  0999 V2000
    3.8243    3.1957    3.9785 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5214    2.6005    3.2681 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3813    1.8610    2.3697 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.6858    1.2705    1.1190 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5024   -0.0278    1.3229 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.7260   -0.0651    0.5061 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6324   -1.1005    0.5307 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4583   -2.1149    1.1990 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8570   -0.9669   -0.3293 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4150   -2.1798   -0.7644 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5523   -2.1910   -1.5616 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1673   -0.9883   -1.9075 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6566    0.2657   -1.4992 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3694    1.5040   -1.9408 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5415    2.6192   -1.1013 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0924    3.8161   -1.5673 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5948    3.8936   -2.8574 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1262    5.0992   -3.2279 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4127    5.2112   -4.6254 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1786    3.9983   -5.1240 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2720    2.7795   -5.0114 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5842    2.7633   -3.6749 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9256    1.6021   -3.2333 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4680    0.2549   -0.7101 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7265    1.7703   -0.2513 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.7136    0.4102    2.7901 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2860    2.4267    2.1065 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8738    1.8169    0.1883 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6042    1.1181    1.2129 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9160   -0.9441    1.2002 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9600    0.7300   -0.0796 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9539   -3.1283   -0.4888 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9662   -3.1355   -1.9094 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0723   -1.0451   -2.5120 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2281    2.5931   -0.0607 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1340    4.6843   -0.9149 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.0158    6.1146   -4.7606 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4762    5.3572   -5.1792 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.0686    3.8506   -4.4978 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.5121    4.1338   -6.1570 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.8756    1.8723   -5.1337 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5153    2.7967   -5.8038 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8602    0.7607   -3.9209 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7183    0.2677    3.2009 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9929   -0.0451    3.4805 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0  0  0  0
  2  3  1  0  0  0  0
  3  4  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 28  1  0  0  0  0
  4 29  1  0  0  0  0
  5  6  1  0  0  0  0
  5 26  1  0  0  0  0
  5 30  1  0  0  0  0
  6  7  1  0  0  0  0
  6 31  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 24  2  0  0  0  0
 10 11  2  0  0  0  0
 10 32  1  0  0  0  0
 11 12  1  0  0  0  0
 11 33  1  0  0  0  0
 12 13  2  0  0  0  0
 12 34  1  0  0  0  0
 13 14  1  0  0  0  0
 13 24  1  0  0  0  0
 14 15  1  0  0  0  0
 14 23  2  0  0  0  0
 15 16  2  0  0  0  0
 15 35  1  0  0  0  0
 16 17  1  0  0  0  0
 16 36  1  0  0  0  0
 17 18  1  0  0  0  0
 17 22  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 37  1  0  0  0  0
 19 38  1  0  0  0  0
 20 21  1  0  0  0  0
 20 39  1  0  0  0  0
 20 40  1  0  0  0  0
 21 22  1  0  0  0  0
 21 41  1  0  0  0  0
 21 42  1  0  0  0  0
 22 23  1  0  0  0  0
 23 43  1  0  0  0  0
 24 25  1  0  0  0  0
 26 44  1  0  0  0  0
 26 45  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-03-17, 168👍, 0💬