Molecule FYI-1000205

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A

Molecule Summary:

ID: FYI-1000205
SMILES: CCC(C)C1=C(C(=CC(=C1)C(C)(C)C)N2N=C3C=CC=CC3=N2)O

Received at FYIcenter.com on: 2020-12-12

Molecule ID: FYI-1000205 Edit

Molecule Structure SMILES String: CCC(C)C1=C(C(=CC(=C1)C(C)(C)C)N2N=C3C=CC=CC3=N2)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1000205
FYIcenter.com

 24 26  0  0  0  0  0  0  0  0999 V2000
   11.5904    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3780    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1655    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1655    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9531    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7407    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5281    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5281    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7407    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9531    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7407    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1407    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7407    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3407    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3158    5.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1695    6.9923    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    7.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    8.4959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    8.4959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    6.0709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    6.0709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0369    5.0306    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7407    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  3  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 10  5  1  0  0  0  0
 11  9  1  0  0  0  0
 12 11  1  0  0  0  0
 13 11  1  0  0  0  0
 14 11  1  0  0  0  0
 15  7  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 21  1  0  0  0  0
 22 17  1  0  0  0  0
 23 22  2  0  0  0  0
 23 15  1  0  0  0  0
 24  6  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1000205-3D
FYIcenter.com

 49 51  0  0  1  0  0  0  0  0999 V2000
    1.0636   -2.5000   -1.7739 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5656   -2.4220   -1.5482 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0653   -1.0061   -1.1822 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.4779   -0.4915    0.1359 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5930   -0.9746   -1.1468 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3414   -0.1428   -1.9990 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7409   -0.2134   -2.0227 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3937   -1.1330   -1.1725 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6854   -1.9472   -0.2708 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2850   -1.8414   -0.2772 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4326   -2.8977    0.6855 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3748   -2.0783    1.5935 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4963   -3.7085    1.6127 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2677   -3.9182   -0.1166 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5408    0.6243   -2.8598 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8865    0.4294   -2.9605 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2720    1.3841   -3.8163 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5543    1.6539   -4.3294 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6115    2.7520   -5.2098 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4761    3.5330   -5.5566 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1851    3.2779   -5.0540 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1077    2.1817   -4.1767 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0426    1.6861   -3.5395 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6641    0.6944   -2.8364 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7919   -3.5024   -2.1208 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7402   -1.7795   -2.5313 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5107   -2.3089   -0.8497 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0692   -2.7529   -2.4662 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8344   -3.1455   -0.7694 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7055   -0.3342   -1.9703 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6282   -1.2028    0.9550 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4012   -0.3157    0.0401 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9377    0.4595    0.4283 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4811   -1.1973   -1.1947 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6913   -2.4581    0.3929 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8140   -1.3430    2.1827 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1316   -1.5322    1.0201 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9110   -2.7286    2.2944 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8937   -3.0513    2.2511 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0667   -4.3676    2.2765 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8132   -4.3445    1.0367 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0259   -3.4351   -0.7423 H   0  0  0  0  0  0  0  0  0  0  0  0
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    8.7973   -4.6046    0.5554 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4211    1.0622   -4.0675 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5751    3.0170   -5.6464 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6092    4.3680   -6.2444 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3205    3.8700   -5.3194 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0949    1.2579   -2.2879 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 25  1  0  0  0  0
  1 26  1  0  0  0  0
  1 27  1  0  0  0  0
  2  3  1  0  0  0  0
  2 28  1  0  0  0  0
  2 29  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3 30  1  0  0  0  0
  4 31  1  0  0  0  0
  4 32  1  0  0  0  0
  4 33  1  0  0  0  0
  5  6  2  0  0  0  0
  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
  6 24  1  0  0  0  0
  7  8  2  0  0  0  0
  7 15  1  0  0  0  0
  8  9  1  0  0  0  0
  8 34  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 10 35  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  1  0  0  0  0
 12 36  1  0  0  0  0
 12 37  1  0  0  0  0
 12 38  1  0  0  0  0
 13 39  1  0  0  0  0
 13 40  1  0  0  0  0
 13 41  1  0  0  0  0
 14 42  1  0  0  0  0
 14 43  1  0  0  0  0
 14 44  1  0  0  0  0
 15 16  1  0  0  0  0
 15 23  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 17 22  1  0  0  0  0
 18 19  2  0  0  0  0
 18 45  1  0  0  0  0
 19 20  1  0  0  0  0
 19 46  1  0  0  0  0
 20 21  2  0  0  0  0
 20 47  1  0  0  0  0
 21 22  1  0  0  0  0
 21 48  1  0  0  0  0
 22 23  2  0  0  0  0
 24 49  1  0  0  0  0
M  END
$$$$

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