Molecule FYI-1005550

A

Molecule Summary:

ID: FYI-1005550
Names:
InChIKey: NFCBKOXPVUTUFE-UHFFFAOYSA-N
SMILES: CCCCCC(=O)c2cc1c(C)cc(=O)oc1cc2Nc3ccccc3C(C)=O

Received at FYIcenter.com on: 2023-11-06

Molecule ID: FYI-1005550 Edit

Molecule Structure InChIKey: NFCBKOXPVUTUFE-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCCC(=O)c2cc1c(C)cc(=O)oc1cc2Nc3ccccc3C(C)=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1005550
FYIcenter.com

 29 31  0  0  0  0  0  0  0  0999 V2000
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3368    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9118    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0621    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3000    0.0000 C   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  2  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
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  9  4  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
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 20 13  2  0  0  0  0
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 22 11  1  0  0  0  0
 23 22  1  0  0  0  0
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 25 23  1  0  0  0  0
 26 25  1  0  0  0  0
 27 26  1  0  0  0  0
 28 27  1  0  0  0  0
 29 28  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005550-3D
FYIcenter.com

 54 56  0  0  0  0  0  0  0  0999 V2000
    4.3409   -4.2685    0.5569 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2623   -2.8424    0.0372 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4392   -2.5267   -0.8819 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3650   -1.0943   -1.4091 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5472   -0.7973   -2.3270 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5037    0.6338   -2.8674 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9976    1.5542   -2.2529 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2112    0.9241   -4.1571 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3532    0.1520   -4.4437 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1194    0.3720   -5.5912 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3156   -0.3951   -5.9566 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8466   -1.5198   -5.1174 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9532   -0.0704   -7.0915 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5306    1.0123   -7.9940 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1506    1.2603   -9.0116 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4040    1.7184   -7.6169 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7077    1.3945   -6.4397 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5910    2.1772   -6.1749 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8494    1.9891   -5.0016 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7300    2.8178   -4.7350 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5635    4.1783   -5.1251 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7049    4.9973   -5.2236 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6020    6.3514   -5.5239 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2850    4.7581   -5.3071 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0538    3.9175   -5.1046 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7743    4.2062   -5.8529 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0714    2.9910   -4.3009 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.2649   -4.4281    1.1218 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3139   -4.9878   -0.2676 H   0  0  0  0  0  0  0  0  0  0  0  0
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   11.8424   -0.5980   -7.4191 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3540    2.9784   -6.8746 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.2405    6.6065   -5.8354 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8729    4.9460   -6.6468 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4330    3.2717   -6.3134 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  1 31  1  0  0  0  0
  1 32  1  0  0  0  0
  2  3  1  0  0  0  0
  2 33  1  0  0  0  0
  2 34  1  0  0  0  0
  3  4  1  0  0  0  0
  3 35  1  0  0  0  0
  3 36  1  0  0  0  0
  4  5  1  0  0  0  0
  4 37  1  0  0  0  0
  4 38  1  0  0  0  0
  5  6  1  0  0  0  0
  5 39  1  0  0  0  0
  5 40  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
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  8 19  2  0  0  0  0
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 10 17  1  0  0  0  0
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 21 22  1  0  0  0  0
 21 26  2  0  0  0  0
 22 23  2  0  0  0  0
 22 48  1  0  0  0  0
 23 24  1  0  0  0  0
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 24 50  1  0  0  0  0
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 27 29  2  0  0  0  0
 28 52  1  0  0  0  0
 28 53  1  0  0  0  0
 28 54  1  0  0  0  0
M  END
$$$$

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2023-11-09, 678👍, 0💬