Molecule FYI-1005701

A

Molecule Summary:

ID: FYI-1005701
Names:
InChIKey: WMKVYPIACLQOAI-UHFFFAOYSA-N
SMILES: CC(C)NC(=O)C2C=C1c4cccc3NCC(CC1N(C)C2)c34

Received at FYIcenter.com on: 2023-11-11

Molecule ID: FYI-1005701 Edit

Molecule Structure InChIKey: WMKVYPIACLQOAI-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(C)NC(=O)C2C=C1c4cccc3NCC(CC1N(C)C2)c34

Download SDF Download SVG Structure in 2D SDF:

FYI-1005701
FYIcenter.com

 23 26  0  0  0  0  0  0  0  0999 V2000
   10.6151    4.1896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8245    3.4914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6151    5.5862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4057    3.4914    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1962    4.1896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1962    5.5862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9868    3.4914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9868    2.0948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7774    1.3965    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
 22 12  1  0  0  0  0
 23  9  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005701-3D
FYIcenter.com

 48 51  0     1  0  0  0  0  0999 V2000
   -2.3262   -0.6738   -1.2000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8554    1.9607    0.2769 N   0  0  1  0  0  0  0  0  0  0  0  0
    4.9338    0.3538   -0.8541 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1615   -0.5440    0.2261 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9247    1.3846   -0.0464 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.4947    1.4107    0.5798 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.5561    1.9091   -0.4518 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8608   -0.1026    0.0458 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4919   -0.1364    0.6827 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7725   -0.8539    0.4551 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0967    1.5473   -1.0333 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.6583   -0.7994    0.9044 C   0  0  0  0  0  0  0  0  0  0  0  0
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 23 48  1  0  0  0  0
M  END
$$$$

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2023-11-18, 343👍, 0💬