Molecule FYI-1001833

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A

Molecule Summary:

ID: FYI-1001833
SMILES: COC(C=C1)=CC=C1CNC[C@@H](C[C@@H]2CC3)N3C[C@@H]2C4=CC(C5=CC6=CC=CC=C6C=C5)=NN4C

Received at FYIcenter.com on: 2022-12-22

Molecule ID: FYI-1001833 Edit

Molecule Structure SMILES String: COC(C=C1)=CC=C1CNC[C@@H](C[C@@H]2CC3)N3C[C@@H]2C4=CC(C5=CC6=CC=CC=C6C=C5)=NN4C

Download SDF Download SVG Structure in 2D SDF:

FYI-1001833
FYIcenter.com

 35 40  0  0  1  0  0  0  0  0999 V2000
   11.3237    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3237    1.3485    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1558    2.0228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1558    3.3713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9879    4.0456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9879    1.3485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8201    2.0228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8201    3.3713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6522    4.0456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4844    3.3713    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001833-3D
FYIcenter.com

 69 74  0  0  1  0  0  0  0  0999 V2000
    2.1717    7.8402    4.0414 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8187    7.4614    5.2653 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$

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2023-01-06, 2627👍, 0💬