Molecule Editor

Molecule ID: FYI-1016099 Edit

Molecule Structure InChIKey: YHDDSUVESRGAMC-UHFFFAOYSA-O

Molecule Structure SMILES String: CC(C)C[NH+]3CCC(c2nc1cccc(C(N)=O)c1[nH]2)C3

Download SDF Download SVG Structure in 2D SDF:

FYI-1016099
FYIcenter.com

 43 45  0  0  0  0  0  0  0  0999 V2000
    6.4007    4.9016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1095    6.2714    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7167    6.4178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0165    7.6307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5861    8.9100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5454    9.8471    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    4.8528   10.3490    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6917   11.2399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5588   12.0631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2794   11.4935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7051   13.4559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3325    9.1469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6237    7.7770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1471    5.1384    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1878    4.2014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.8263    2.1007    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8263    4.9016    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  4  5  1  0  0  0  0
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M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016099-3D
FYIcenter.com

 44 46  0  0  1  0  0  0  0  0999 V2000
    3.1581   -2.5285    2.8234 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5443   -2.1705    1.4692 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0261   -2.0159    1.6234 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1576   -0.9051    0.8367 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6507   -1.0315    0.6083 N   0  3  3  0  0  0  0  0  0  0  0  0
    5.2990    0.2218    0.0530 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3524   -0.0194   -1.4412 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6859   -1.4990   -1.5786 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.1558   -1.7517   -1.6452 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0503   -1.3471   -0.7675 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2443   -1.9067   -1.1724 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5187   -1.8303   -0.5917 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5690   -2.5522   -1.1796 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3591   -3.3351   -2.3183 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0966   -3.4087   -2.9283 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7814   -4.2365   -4.1161 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.6168   -4.3562   -4.4956 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0689   -2.6692   -2.3157 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7388   -2.5152   -2.6272 N   0  0  0  0  0  0  0  0  0  0  0  0
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   12.5590   -2.5088   -0.7272 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2019   -3.9012   -2.7085 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7848   -4.6867   -4.6027 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5701   -5.3969   -5.6005 H   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$