Molecule FYI-1006578

A

Molecule Summary:

ID: FYI-1006578
Names:
InChIKey: IHCWZISCKJIACO-UHFFFAOYSA-N
SMILES: CC(C)NCC(O)COc1ccc(NC(F)CCN)cc1C(C)F

Received at FYIcenter.com on: 2024-01-03

Molecule ID: FYI-1006578 Edit

Molecule Structure InChIKey: IHCWZISCKJIACO-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(C)NCC(O)COc1ccc(NC(F)CCN)cc1C(C)F

Download SDF Download SVG Structure in 2D SDF:

FYI-1006578
FYIcenter.com

 24 24  0  0  0  0  0  0  0  0999 V2000
   16.9741    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.5491    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6994    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 23 22  1  0  0  0  0
 24 22  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006578-3D
FYIcenter.com

 53 53  0  0  1  0  0  0  0  0999 V2000
    1.2827   -1.8534    2.3901 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8091   -1.7719    2.4588 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4102   -2.3531    1.1770 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1873   -0.3682    2.6536 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6273   -0.1833    2.8666 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9492    1.2977    3.1365 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.3698    1.7062    4.3850 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4646    1.5287    3.1636 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0502    0.7176    4.1951 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4057    0.8304    4.3678 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2283    1.6312    3.5721 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.4473    2.9326    4.0748 F   0  0  0  0  0  0  0  0  0  0  0  0
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   10.3498    0.2623    5.7000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 23 53  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-01-15, 1469👍, 0💬