Molecule FYI-1005057

A

Molecule Summary:

ID: FYI-1005057
Names:
InChIKey: WWOCUKUEGRWXGZ-UHFFFAOYSA-N
SMILES: O=C(O)C3CNCCN(CCN2CCN(c1ccccc1)CC2)C3

Received at FYIcenter.com on: 2023-10-11

Molecule ID: FYI-1005057 Edit

Molecule Structure InChIKey: WWOCUKUEGRWXGZ-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C(O)C3CNCCN(CCN2CCN(c1ccccc1)CC2)C3

Download SDF Download SVG Structure in 2D SDF:

FYI-1005057
FYIcenter.com

 24 26  0  0  0  0  0  0  0  0999 V2000
   12.7336    2.1599    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1463    3.4978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5112    3.8093    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1940    4.5240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7054    5.8273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0054    7.0397    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6211    7.2483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5948    6.2961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 24  9  1  0  0  0  0
 24  4  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005057-3D
FYIcenter.com

 52 54  0     1  0  0  0  0  0999 V2000
    6.9157   -1.9322   -0.6403 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9880   -2.0850    1.4362 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8140   -0.2958   -0.4218 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8695    0.3156   -0.2015 N   0  0  2  0  0  0  0  0  0  0  0  0
   -3.6513   -0.0814   -0.1707 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4017    2.1935    0.2467 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5196    0.0980   -0.8748 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5288   -0.0625    0.2582 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8886   -0.4046    0.5787 C   0  0  0  0  0  0  0  0  0  0  0  0
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 24 52  1  0  0  0  0
M  END
$$$$

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2023-10-27, 1963👍, 0💬