Molecule FYI-1001008

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Molecule Summary:

ID: FYI-1001008
SMILES: CC1CN(CC1C2=NC(=NO2)C3=CC=CC=C3)C(=O)C4=COC=C4

Received at FYIcenter.com on: 2021-09-30

Molecule ID: FYI-1001008 Edit

Molecule Structure SMILES String: CC1CN(CC1C2=NC(=NO2)C3=CC=CC=C3)C(=O)C4=COC=C4

Download SDF Download SVG Structure in 2D SDF:

FYI-1001008
FYIcenter.com

 41 44  0  0  0  0  0  0  0  0999 V2000
    5.5416   -0.2557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9538    0.5533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2628    1.5043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4538    2.0921    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6448    1.5043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9538    0.5533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3660   -0.2557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6750   -1.2068    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.7946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0570   -1.2068    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3660   -0.2557    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.7946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.2946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -4.2946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -4.7946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321   -4.2946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321   -3.2946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4538    3.0921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5878    3.5921    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3198    3.5921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.9025    3.9285    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.0400   -0.6202    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4631   -2.9846    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -4.6046    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -5.4146    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -4.6046    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.9846    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3623    2.5789    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6547    5.3610    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9636    5.0015    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  2  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
  7 11  1  0  0  0  0
  9 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
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 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 12 17  1  0  0  0  0
  4 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  2  0  0  0  0
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  5 31  1  0  0  0  0
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  6 33  1  0  0  0  0
 13 34  1  0  0  0  0
 14 35  1  0  0  0  0
 15 36  1  0  0  0  0
 16 37  1  0  0  0  0
 17 38  1  0  0  0  0
 21 39  1  0  0  0  0
 23 40  1  0  0  0  0
 24 41  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001008-3D
FYIcenter.com

 41 44  0  0  1  0  0  0  0  0999 V2000
    0.9603   -0.1278   -0.0214 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4777   -0.0971    0.1168 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.0708   -1.3757    0.7403 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3283   -0.9352    1.3541 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4387    0.5130    1.3144 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0362    1.0238    1.0126 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.2549    1.1902    2.2634 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3343    0.5244    3.3876 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2563    1.0012    4.0954 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5446    1.9327    3.4399 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2149    2.0677    2.2283 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9689    0.5402    5.4411 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8140   -0.4032    6.0431 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6025   -0.7972    7.3622 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5345   -0.2647    8.0826 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3346    0.6445    7.4801 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1197    1.0465    6.1624 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0547   -1.7121    2.2580 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7050   -2.8147    2.6263 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3124   -1.1268    2.7256 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8986   -1.3305    3.9597 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0753   -0.6511    4.0542 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2698   -0.0296    2.8656 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2319   -0.2971    2.0138 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6532   -0.9198   -0.7101 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.9106    0.0317   -0.8864 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2649   -2.1301   -0.0336 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.1191    0.7370    0.4884 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8590    0.9066    2.2430 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0915    1.9803    0.4853 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6508   -0.8225    5.4859 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2792   -1.5080    7.8281 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3816   -0.5579    9.1173 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1746    1.0474    8.0392 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7995    1.7623    5.7035 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6269   -1.9042    4.8377 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1793    0.5437    2.7752 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1308    0.0466    0.9970 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 27  1  0  0  0  0
  2  3  1  0  0  0  0
  2  6  1  0  0  0  0
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  3  4  1  0  0  0  0
  3 29  1  0  0  0  0
  3 30  1  0  0  0  0
  4  5  1  0  0  0  0
  4 18  1  0  0  0  0
  5  6  1  0  0  0  0
  5 31  1  0  0  0  0
  5 32  1  0  0  0  0
  6  7  1  0  0  0  0
  6 33  1  0  0  0  0
  7  8  2  0  0  0  0
  7 11  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 12  1  0  0  0  0
 10 11  1  0  0  0  0
 12 13  2  0  0  0  0
 12 17  1  0  0  0  0
 13 14  1  0  0  0  0
 13 34  1  0  0  0  0
 14 15  2  0  0  0  0
 14 35  1  0  0  0  0
 15 16  1  0  0  0  0
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 16 17  2  0  0  0  0
 16 37  1  0  0  0  0
 17 38  1  0  0  0  0
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 18 20  1  0  0  0  0
 20 21  2  0  0  0  0
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 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 40  1  0  0  0  0
 24 41  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-03-29, 2541👍, 0💬