Molecule Editor

Molecule ID: FYI-1003418 Edit

Molecule Structure InChIKey: KGGWETZAVYXMAB-UHFFFAOYSA-N

Molecule Structure SMILES String: OC(=NCC2CNCc1ccccc12)c4ccc(c3ccccc3)c(Cl)c4

Download SDF Download SVG Structure in 2D SDF:

FYI-1003418
FYIcenter.com

 48 51  0  0  0  0  0  0  0  0999 V2000
    1.1602    2.2572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   19.2355    5.5464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4799    4.2487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2397    3.8438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5930    1.3174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5077    6.8704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9779    4.2439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 25 47  1  0  0  0  0
 27 48  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003418-3D
FYIcenter.com

 48 51  0  0  1  0  0  0  0  0999 V2000
    1.1364   -0.0414    0.0151 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4764    0.0007   -0.1149 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1240    0.9089   -0.7470 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3740    2.0153   -1.3309 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2934    2.9897   -2.0873 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.3995    3.5351   -1.1453 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2897    4.5697   -1.6966 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8007    5.2070   -2.9194 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2995    5.3071   -3.0087 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.7449   -4.9562    3.8184 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3918   -6.0728    4.3572 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$