Molecule Editor

Molecule ID: FYI-1005703 Edit

Molecule Structure InChIKey: SSIGXLVDPINUCZ-XPKAQORNSA-N

Molecule Structure SMILES String: CC#CCNC(=O)C2C=C1c3cccc4[nH]cc(C[C@H]1N(C)C2)c34

Download SDF Download SVG Structure in 2D SDF:

FYI-1005703
FYIcenter.com

 24 27  0  0  1  0  0  0  0  0999 V2000
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    8.2952    8.4440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2952    9.8406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2952   11.2373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0857    6.3490    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8761    7.0473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8761    8.4440    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6665    6.3490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4570    7.0473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2474    6.3490    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2474    4.9523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0379    4.2540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4570    2.8573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.2474    2.1590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0379    7.0473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 23 13  1  0  0  0  0
 23 16  1  0  0  0  0
 24 10  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005703-3D
FYIcenter.com

 45 48  0  0  1  0  0  0  0  0999 V2000
    1.2597   -1.2319    0.4312 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6750   -0.8851    0.3076 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9366   -0.5750    0.1977 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4075   -0.2135    0.0696 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9220    0.3625    1.2829 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2379    0.7600    1.3652 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0093    0.6955    0.4086 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7045    1.2755    2.7337 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.9219    2.4939    3.1538 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0741    2.4673    4.2012 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3896    3.6987    4.6636 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7333    5.0353    4.4239 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9811    6.0805    4.9806 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8700    5.8380    5.8042 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5381    4.5009    6.0317 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5401    3.9071    6.7769 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$