Molecule FYI-1005863

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Molecule Summary:

ID: FYI-1005863
Names:
InChIKey: NHBSEELJPOLMEY-UHFFFAOYSA-N
SMILES: O=C(NC(CO)C1CCCCCC1)C3CCOc2ncccc23

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

Molecule ID: FYI-1005863 Edit

Molecule Structure InChIKey: NHBSEELJPOLMEY-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C(NC(CO)C1CCCCCC1)C3CCOc2ncccc23

Download SDF Download SVG Structure in 2D SDF:

FYI-1005863
FYIcenter.com

 23 25  0  0  0  0  0  0  0  0999 V2000
    6.6433    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4309    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2185    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2185    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4309    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4309    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0061    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1107    8.3961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0843    9.3484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    9.1396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.9272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5114    6.6240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8493    6.2114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4309    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6433    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6433    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4309    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2185    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0061    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7935    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7935    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0061    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2185    2.1000    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  1  0  0  0  0
  6  5  1  0  0  0  0
  7  4  1  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  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 13  7  1  0  0  0  0
 14  2  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  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 21  1  0  0  0  0
 23 22  2  0  0  0  0
 23 18  1  0  0  0  0
 23 14  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005863-3D
FYIcenter.com

 49 51  0     1  0  0  0  0  0999 V2000
   -1.0066   -3.8575   -0.3038 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1040    2.3448   -0.1283 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7793   -0.6182   -1.4122 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7529   -0.9241    0.3141 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8940    0.9319   -0.2858 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0583   -0.7426   -0.4362 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7812    0.6155   -1.1023 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5829   -0.6432    1.0031 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7803   -1.5907   -0.4469 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.0555    1.3806   -1.4512 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8404    0.2054    1.1898 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6090    2.2630   -0.3375 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5644    1.7009    1.0794 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0523   -2.9837    0.1064 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3222    0.1906    0.7686 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.4437   -0.4935   -0.2374 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9689    1.6743    0.8542 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7751    0.0039    0.4315 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6829    2.4494   -0.2443 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5765    1.0617    0.0008 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3784   -1.2532    0.5486 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7256   -1.4152    0.2488 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4332   -0.3002   -0.1593 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8143   -1.2661   -1.0379 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1240    1.2419   -0.4890 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2478    0.4342   -2.0449 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8434   -1.6452    1.3639 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8192   -0.2600    1.6883 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4324   -1.6958   -1.4825 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8316    0.6824   -1.7882 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8501    2.0293   -2.3126 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2171    0.0112    2.2025 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6333   -0.1066    0.5006 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6485    2.5098   -0.5896 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0712    3.2198   -0.3387 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5950    1.9368    1.5360 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3104    2.2429    1.6747 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0847   -3.0013    1.2007 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9877   -3.3927   -0.2893 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8954   -0.8030    1.3119 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1461   -0.2552    1.7572 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3089    2.0588    1.8251 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.3760    2.1224   -1.2451 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4307    3.5120   -0.1626 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2112   -4.7369    0.0572 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7996   -2.1120    0.8791 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2051   -2.3833    0.3360 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4884   -0.3694   -0.4023 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  1  0  0  0  0
  1 46  1  0  0  0  0
  2 19  1  0  0  0  0
  2 20  1  0  0  0  0
  3 16  2  0  0  0  0
  4  9  1  0  0  0  0
  4 16  1  0  0  0  0
  4 40  1  0  0  0  0
  5 20  1  0  0  0  0
  5 23  2  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  6 24  1  0  0  0  0
  7 10  1  0  0  0  0
  7 25  1  0  0  0  0
  7 26  1  0  0  0  0
  8 11  1  0  0  0  0
  8 27  1  0  0  0  0
  8 28  1  0  0  0  0
  9 14  1  0  0  0  0
  9 29  1  0  0  0  0
 10 12  1  0  0  0  0
 10 30  1  0  0  0  0
 10 31  1  0  0  0  0
 11 13  1  0  0  0  0
 11 32  1  0  0  0  0
 11 33  1  0  0  0  0
 12 13  1  0  0  0  0
 12 34  1  0  0  0  0
 12 35  1  0  0  0  0
 13 36  1  0  0  0  0
 13 37  1  0  0  0  0
 14 38  1  0  0  0  0
 14 39  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 18  1  0  0  0  0
 15 41  1  0  0  0  0
 17 19  1  0  0  0  0
 17 42  1  0  0  0  0
 17 43  1  0  0  0  0
 18 20  2  0  0  0  0
 18 21  1  0  0  0  0
 19 44  1  0  0  0  0
 19 45  1  0  0  0  0
 21 22  2  0  0  0  0
 21 47  1  0  0  0  0
 22 23  1  0  0  0  0
 22 48  1  0  0  0  0
 23 49  1  0  0  0  0
M  END
$$$$

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2023-11-25, 2304👍, 0💬