Molecule FYI-1007450

A

Molecule Summary:

ID: FYI-1007450
Names:
InChIKey: BBMMADJIKNZYBG-QOMWVZHYSA-N
SMILES: O=C(N/N=C\\1C=CNC2C=CC=CC12)C5C=CC=C4C(=O)C3C=CC=CC3NC45

Received at FYIcenter.com on: 2024-02-22

Molecule ID: FYI-1007450 Edit

Molecule Structure InChIKey: BBMMADJIKNZYBG-QOMWVZHYSA-N

Molecule Structure SMILES String: O=C(N/N=C\1C=CNC2C=CC=CC12)C5C=CC=C4C(=O)C3C=CC=CC3NC45

Download SDF Download SVG Structure in 2D SDF:

FYI-1007450
FYIcenter.com

 29 33  0  0  0  0  0  0  0  0999 V2000
    7.2747    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   10.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  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  2  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 10  2  0  0  0  0
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 13 12  2  0  0  0  0
 14 13  1  0  0  0  0
 14  5  1  0  0  0  0
 14  9  1  0  0  0  0
 15  2  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 20 19  1  0  0  0  0
 21 20  2  0  0  0  0
 22 20  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  2  0  0  0  0
 25 24  1  0  0  0  0
 26 25  2  0  0  0  0
 27 26  1  0  0  0  0
 27 22  1  0  0  0  0
 28 27  1  0  0  0  0
 29 28  1  0  0  0  0
 29 15  1  0  0  0  0
 29 19  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007450-3D
FYIcenter.com

 51 55  0  0  1  0  0  0  0  0999 V2000
    6.4457    7.9833    1.2041 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4135    7.4476    1.6037 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7830    6.3756    0.9516 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1546    6.0861   -0.3275 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7252    5.0086   -0.9238 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9851    4.9232   -2.3980 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1512    4.1519   -3.1141 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0677    3.4673   -2.5988 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7113    3.6507   -1.1934 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.8124    2.5419   -0.7273 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8499    2.1331    0.5528 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7334    2.7622    1.5130 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7513    3.5528    1.1218 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0035    3.7699   -0.3457 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.7181    7.8509    2.9310 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.5043    8.9093    3.6849 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9766   10.0672    4.1138 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6029   10.4142    3.8563 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8138    9.5889    3.1562 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3933    9.9328    2.8527 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9243   11.0354    3.1362 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5904    8.8896    2.0770 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.8194    9.0994    0.5893 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9166    8.0652   -0.2596 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7238    6.7120    0.1973 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7604    6.4006    1.5004 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9439    7.4464    2.5739 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.2887    7.2779    3.1474 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2497    8.2593    2.6162 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.8297    6.1296    1.1980 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8056    5.4832   -2.8184 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2806    4.0250   -4.1851 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9875    2.5170   -2.9534 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.1088    2.0971   -1.4273 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2016    1.3318    0.9003 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5867    2.5172    2.5640 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4673    3.9208    1.8473 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6719    2.9382   -0.6151 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.5514    8.6978    3.8875 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5796   10.7828    4.6660 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2352   11.3637    4.2374 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4707    9.0773    2.2868 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9379   10.1160    0.2208 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1195    8.2218   -1.3161 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5479    5.9504   -0.5553 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6183    5.3696    1.8142 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2375    7.2063    3.3793 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6067    6.3158    3.0916 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1646    8.3100    1.5255 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
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  3  4  1  0  0  0  0
  3 30  1  0  0  0  0
  4  5  2  0  0  0  0
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  5 14  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
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  8  9  1  0  0  0  0
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  9 10  1  0  0  0  0
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  9 34  1  0  0  0  0
 10 11  2  0  0  0  0
 10 35  1  0  0  0  0
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 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
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 28 29  1  0  0  0  0
 28 50  1  0  0  0  0
 29 51  1  0  0  0  0
M  END
$$$$

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2024-03-07, 1562👍, 0💬