Molecule FYI-1005686

A

Molecule Summary:

ID: FYI-1005686
Names:
InChIKey: LZRDTGMISRBDQP-UHFFFAOYSA-N
SMILES: O=C(Nc3ccc(OCc2ccc(OCC1CCCC1)cc2)cc3)Nc4ccnc(Cl)c4

Received at FYIcenter.com on: 2023-11-10

Molecule ID: FYI-1005686 Edit

Molecule Structure InChIKey: LZRDTGMISRBDQP-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C(Nc3ccc(OCc2ccc(OCC1CCCC1)cc2)cc3)Nc4ccnc(Cl)c4

Download SDF Download SVG Structure in 2D SDF:

FYI-1005686
FYIcenter.com

 32 35  0  0  0  0  0  0  0  0999 V2000
   17.9785    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7660    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7660    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9785    2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1908    2.0999    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.1908    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.4031    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   15.5536    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.3412    0.7001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1288    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.3413    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9165    0.7002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9166    2.1002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7043    2.8003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4912    2.1005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4912    0.7005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7039    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2787    2.8003    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0693   10.4920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6999   10.7829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.5704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9369    8.5301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
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  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  2  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
 10 12  1  0  0  0  0
 13 14  1  0  0  0  0
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 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 12 17  1  0  0  0  0
 12 13  2  0  0  0  0
 15 18  1  0  0  0  0
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 19 20  1  0  0  0  0
 21 22  1  0  0  0  0
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 23 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 28 32  1  0  0  0  0
 28 29  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005686-3D
FYIcenter.com

 58 61  0  0  0  0  0  0  0  0999 V2000
    3.2586   -1.3642    2.5389 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5510   -0.5746    1.9258 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5789   -0.9295    1.0104 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2650   -2.2480    0.6197 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6776   -3.3858    1.3185 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3665   -4.6610    0.8462 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6206   -4.8123   -0.3192 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3513   -6.1012   -0.6812 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$

✍: FYIcenter.com

2023-11-18, 883👍, 0💬