Molecule Editor

Molecule ID: FYI-1004614 Edit

Molecule Structure InChIKey: ZQIPPVAUOJLJFR-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C(Nc2ccc(O)c(C(=O)N1CCCC1)c2)c6cc5c(c4cnc3[nH]ccc3c4)ccc[c+]5s6

Download SDF Download SVG Structure in 2D SDF:

FYI-1004614
FYIcenter.com

 35 40  0  0  0  0  0  0  0  0999 V2000
    1.0032    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2157    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2157    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4281    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6406    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8530    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0654    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0654    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1981    2.9229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7654    4.2544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4654    5.4668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8654    5.4668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5654    6.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9654    6.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9022    7.7197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1812    7.1502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0349    5.7579    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.6654    5.4668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9654    4.2544    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.5654    4.2544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7654    6.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3654    6.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6654    5.4668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3654    4.2544    0.0000 C   0  3  0  0  0  0  0  0  0  0  0  0
    5.9328    2.9229    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.2779    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6406    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4281    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4281    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2157    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9368    4.3306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.3709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    6.5834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0694    6.2923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6406    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  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  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  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  2  0  0  0  0
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 17 16  1  0  0  0  0
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 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  2  0  0  0  0
 20 12  1  0  0  0  0
 21 11  2  3  0  0  0
 22 21  2  3  0  0  0
 23 22  2  3  0  0  0
 24 10  2  3  0  0  0
 24 23  2  3  0  0  0
 25 24  1  0  0  0  0
 25  8  1  0  0  0  0
 26  7  2  0  0  0  0
 27  5  1  0  0  0  0
 28 27  2  0  0  0  0
 28  2  1  0  0  0  0
 29 28  1  0  0  0  0
 30 29  1  0  0  0  0
 31 30  1  0  0  0  0
 32 31  1  0  0  0  0
 33 32  1  0  0  0  0
 34 33  1  0  0  0  0
 34 30  1  0  0  0  0
 35 29  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004614-3D
FYIcenter.com

 57 62  0  0  1  0  0  0  0  0999 V2000
    2.2222   -0.2986   -1.1680 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2225   -0.4594   -0.4797 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4196   -1.4200    0.4940 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5765   -2.4409    0.9474 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3366   -2.7540    0.4154 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5635   -3.7504    1.0239 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9857   -4.3619    2.2185 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1526   -5.2689    2.8073 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2200   -4.0194    2.7854 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7110   -4.5331    4.1112 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4698   -5.6949    4.4338 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4415   -3.6792    4.9533 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9263   -4.1327    6.2460 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9370   -2.8727    7.0977 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2703   -1.7625    6.1162 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7538   -2.2658    4.7777 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0400   -3.1558    2.0560 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4010    0.4503   -0.5806 C   0  0  3  0  0  3  0  0  0  0  0  0
    4.4174    1.8430   -0.9880 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6308    2.4049   -0.8315 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1198    3.7473   -1.1668 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4648    4.6995   -2.0783 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6090    4.5464   -3.4603 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0965    5.3596   -4.4166 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3941    6.3834   -3.9006 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.1211    8.2269   -3.8208 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.7464    5.8057   -1.6061 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.8329    1.9090    0.3092 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$