Molecule FYI-1013965

A

Molecule Summary:

ID: FYI-1013965
Names:
InChIKey: UJSJFZXKAZDKEV-UHFFFAOYSA-N
SMILES: O=C(NCC2CCC1C=CC=CC1C2)C(=O)NC3CCCCCC3

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

Molecule ID: FYI-1013965 Edit

Molecule Structure InChIKey: UJSJFZXKAZDKEV-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C(NCC2CCC1C=CC=CC1C2)C(=O)NC3CCCCCC3

Download SDF Download SVG Structure in 2D SDF:

FYI-1013965
FYIcenter.com

 24 26  0  0  0  0  0  0  0  0999 V2000
    6.6434    4.4483    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6434    3.0484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8558    2.3484    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.0682    3.0484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2807    2.3484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2807    0.9484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4931    0.2484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7055    0.9484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9179    0.2484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1305    0.9484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1305    2.3484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9179    3.0484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7055    2.3484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4931    3.0484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4310    2.3484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4310    0.9484    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2185    3.0484    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0061    2.3484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8494    3.1370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5116    2.7244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    0.2087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0845    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1107    0.9523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 13 12  1  0  0  0  0
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 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
 24 18  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1013965-3D
FYIcenter.com

 54 56  0  0  1  0  0  0  0  0999 V2000
    0.9127    0.0324   -0.2476 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1301   -0.0074   -0.2949 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9398    0.6513   -1.2083 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3185    1.5664   -2.1316 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1339    2.1568   -3.2887 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.2351    3.1934   -2.9876 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5599    4.0277   -4.2744 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0152    3.3164   -5.5360 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.1442    3.9650   -6.8856 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1592    3.2054   -7.9936 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2745    1.7652   -7.9303 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4447    1.1157   -6.7683 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4840    1.8389   -5.4477 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.6723    1.1339   -4.3205 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9008   -0.8555    0.7511 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1210   -0.9226    0.6973 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0901   -1.4874    1.6891 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6305   -2.3695    2.7222 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5744   -3.3903    3.1631 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9855   -4.2478    4.3667 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5951   -3.6253    5.7049 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4021   -2.3968    6.1072 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4258   -1.2653    5.0784 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4662    1.0347   -2.5757 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3349    2.7258   -3.7823 H   0  0  0  0  0  0  0  0  0  0  0  0
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  7 31  1  0  0  0  0
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  8 33  1  0  0  0  0
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 10 11  1  0  0  0  0
 10 35  1  0  0  0  0
 11 12  2  0  0  0  0
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 17 41  1  0  0  0  0
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 18 24  1  0  0  0  0
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 19 20  1  0  0  0  0
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 24 54  1  0  0  0  0
M  END
$$$$

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2025-03-12, 729👍, 0💬