Molecule FYI-1005864

A

Molecule Summary:

ID: FYI-1005864
Names:
InChIKey: RSJANZHZRXMQJZ-UHFFFAOYSA-N
SMILES: CCNC(=O)c3cc2C(=O)N(Cc1ccc(C)cc1)CCCn2n3

Received at FYIcenter.com on: 2023-11-17

Molecule ID: FYI-1005864 Edit

Molecule Structure InChIKey: RSJANZHZRXMQJZ-UHFFFAOYSA-N

Molecule Structure SMILES String: CCNC(=O)c3cc2C(=O)N(Cc1ccc(C)cc1)CCCn2n3

Download SDF Download SVG Structure in 2D SDF:

FYI-1005864
FYIcenter.com

 24 26  0  0  0  0  0  0  0  0999 V2000
   15.1576    4.1946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9451    4.8946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7327    4.1946    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.5202    4.8946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5202    6.2946    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3078    4.1946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0289    4.7640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0921    3.7236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7921    2.5111    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.1615    2.8022    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2806    1.2079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9428    0.7953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.6815    2.9800    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 10  6  2  0  0  0  0
 11  9  1  0  0  0  0
 12 11  1  0  0  0  0
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 14 13  1  0  0  0  0
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 22 16  1  0  0  0  0
 23 14  1  0  0  0  0
 23  8  1  0  0  0  0
 24 23  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005864-3D
FYIcenter.com

 46 48  0     0  0  0  0  0  0999 V2000
   -0.5538    2.1700    1.1472 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0929    0.8409    0.9970 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2195    1.2835   -0.8887 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1354   -0.4959   -0.5016 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4063   -0.9338   -0.4732 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1178   -1.2156   -0.0740 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6776   -0.7920   -2.1816 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8225    0.7288   -2.1865 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0771   -1.3583   -0.9810 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9517    0.7459    0.0626 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3  8  1  0  0  0  0
  3 11  1  0  0  0  0
  3 12  1  0  0  0  0
  4  5  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  5 15  2  0  0  0  0
  6 18  1  0  0  0  0
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 15 18  1  0  0  0  0
 16 19  1  0  0  0  0
 16 34  1  0  0  0  0
 17 20  2  0  0  0  0
 17 35  1  0  0  0  0
 19 21  2  0  0  0  0
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 20 21  1  0  0  0  0
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 22 39  1  0  0  0  0
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 23 43  1  0  0  0  0
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 24 45  1  0  0  0  0
 24 46  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-11-25, 1464👍, 0💬