Molecule FYI-1013967

A

Molecule Summary:

ID: FYI-1013967
Names:
InChIKey: PLOGSNNRFVCCNF-UHFFFAOYSA-N
SMILES: CC3=CC(C)CC4NC(C(=O)N2CC(OC1C=CN=CC1)C2)=CC34

Received at FYIcenter.com on: 2025-02-14

Molecule ID: FYI-1013967 Edit

Molecule Structure InChIKey: PLOGSNNRFVCCNF-UHFFFAOYSA-N

Molecule Structure SMILES String: CC3=CC(C)CC4NC(C(=O)N2CC(OC1C=CN=CC1)C2)=CC34

Download SDF Download SVG Structure in 2D SDF:

FYI-1013967
FYIcenter.com

 24 27  0  0  0  0  0  0  0  0999 V2000
   10.8801    1.7816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1801    2.9940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8801    4.2066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1801    5.4190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8801    6.6314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7801    5.4190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8434    6.4593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5645    5.8900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7108    4.4977    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 23 22  2  0  0  0  0
 24 23  1  0  0  0  0
 24 19  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1013967-3D
FYIcenter.com

 49 52  0  0  1  0  0  0  0  0999 V2000
    1.2777   -0.3757    0.4803 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7761   -0.2192    0.5130 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3056    0.9797    0.2190 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7634    1.2507   -0.0091 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.9516    2.0719   -1.2892 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6601    0.0049   -0.0429 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9497   -1.3615   -0.1527 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.8181   -2.3384    0.5386 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3717   -2.4226    1.8742 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2422   -2.9505    3.0023 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9147   -2.8030    4.1754 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$

✍: FYIcenter.com

2025-03-12, 943👍, 0💬