Molecule FYI-1004964

A

Molecule Summary:

ID: FYI-1004964
Names:
InChIKey: VWVYILCFSYNJHF-UHFFFAOYSA-N
SMILES: Cn6c1ccccc1c5c2C(=O)NCc2c4c3ccccc3n(CCC#N)c4c56

Received at FYIcenter.com on: 2023-10-04

Molecule ID: FYI-1004964 Edit

Molecule Structure InChIKey: VWVYILCFSYNJHF-UHFFFAOYSA-N

Molecule Structure SMILES String: Cn6c1ccccc1c5c2C(=O)NCc2c4c3ccccc3n(CCC#N)c4c56

Download SDF Download SVG Structure in 2D SDF:

FYI-1004964
FYIcenter.com

 29 34  0  0  0  0  0  0  0  0999 V2000
    1.0350    5.2489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8578    4.1161    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4252    2.7847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1463    2.2152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4115    0.5695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5578    1.9618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6905    2.7847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0599    2.4937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9966    3.5340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.2640    6.0780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2757    2.9646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.7599    1.2811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1905    0.0022    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 15 14  1  0  0  0  0
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 18 13  1  0  0  0  0
 19 18  1  0  0  0  0
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 20 12  1  0  0  0  0
 21 20  2  0  0  0  0
 21  9  1  0  0  0  0
 21  2  1  0  0  0  0
 22 19  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
 25 24  3  0  0  0  0
 26 11  1  0  0  0  0
 27 26  1  0  0  0  0
 28 27  1  0  0  0  0
 28 10  1  0  0  0  0
 29 28  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004964-3D
FYIcenter.com

 47 52  0     0  0  0  0  0  0999 V2000
   -3.0082    3.3400   -0.4213 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5543   -1.2568    0.6065 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1867   -1.7532    0.4794 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8209    4.1900   -0.3874 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3486   -1.4904   -3.1418 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6725   -0.2537    0.3904 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0795    1.1075    0.2157 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7009   -0.5013    0.3265 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5416    0.6369    0.0935 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2670    2.2181   -0.0113 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1043    1.9516   -0.0722 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5135    0.8372    0.3624 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7534   -0.5580    0.5900 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7990   -0.1264    0.1167 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5236    3.6736   -0.2106 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6356    1.6981    0.3160 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7311   -2.8424    1.3227 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0516   -1.0608    0.7617 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1500    0.2670   -0.0412 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 17  2  0  0  0  0
  2  6  1  0  0  0  0
  2 13  1  0  0  0  0
  2 18  1  0  0  0  0
  3  8  1  0  0  0  0
  3 16  1  0  0  0  0
  3 20  1  0  0  0  0
  4 15  1  0  0  0  0
  4 17  1  0  0  0  0
  4 34  1  0  0  0  0
  5 29  3  0  0  0  0
  6  7  1  0  0  0  0
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  8  9  1  0  0  0  0
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 15 30  1  0  0  0  0
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 18 24  1  0  0  0  0
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 19 35  1  0  0  0  0
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 20 38  1  0  0  0  0
 21 26  1  0  0  0  0
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 22 40  1  0  0  0  0
 23 28  1  0  0  0  0
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 26 45  1  0  0  0  0
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 27 46  1  0  0  0  0
 28 47  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-10-13, 1514👍, 0💬