Molecule FYI-1005712

A

Molecule Summary:

ID: FYI-1005712
Names:
InChIKey: MHVHENVPJCQIMJ-NRZRNPRQSA-N
SMILES: CCN3C[C@H](C(=C=O)C1CCNCC1)C=C2C5C=CC=C4NC=C(C[C@H]23)C45

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

Molecule ID: FYI-1005712 Edit

Molecule Structure InChIKey: MHVHENVPJCQIMJ-NRZRNPRQSA-N

Molecule Structure SMILES String: CCN3C[C@H](C(=C=O)C1CCNCC1)C=C2C5C=CC=C4NC=C(C[C@H]23)C45

Download SDF Download SVG Structure in 2D SDF:

FYI-1005712
FYIcenter.com

 27 31  0  0  1  0  0  0  0  0999 V2000
    7.2595    7.0495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4695    6.3509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    6.3509    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8397    7.0495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6297    6.3509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6297    4.9538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8397    4.2553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8397    2.8582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7132    1.9578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8593    0.5683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6297    9.1451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6297   10.5422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4198   11.2408    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2099   10.5422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2099    9.1451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 26 25  1  0  0  0  0
 27 26  1  0  0  0  0
 27 22  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005712-3D
FYIcenter.com

 56 60  0  0  1  0  0  0  0  0999 V2000
   10.8833    0.1038   -7.0021 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1853   -1.0104   -6.2163 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2078   -0.8226   -4.7504 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.5969   -0.7965   -4.2353 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6142   -0.5012   -2.7214 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.9535   -0.2357   -2.0470 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.0598   -1.1238   -3.0025 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8789    0.5791   -0.7420 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0166    2.0972   -0.9627 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4694    2.5613   -1.0415 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2342    2.1402    0.1309 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.2420    0.6842    0.2622 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8285    0.1155    0.3824 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8372   -1.5621   -2.0093 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7002   -2.0472   -2.5498 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.7758   -4.6117   -0.4652 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4148   -4.1080   -0.5518 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1570   -3.0493   -1.3382 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1272   -3.0282   -2.2760 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6061   -2.4273   -3.4343 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.3165   -1.8096   -4.0346 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2455   -2.1196   -1.8473 C   0  0  3  0  0  0  0  0  0  0  0  0
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   11.9649    0.1154   -6.8367 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4799    1.0880   -6.7412 H   0  0  0  0  0  0  0  0  0  0  0  0
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    9.1507   -1.0251   -6.5746 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1509    0.0187   -4.7143 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  2  3  1  0  0  0  0
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  4  5  1  0  0  0  0
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 25 53  1  0  0  0  0
 25 54  1  0  0  0  0
 26 55  1  6  0  0  0
 27 56  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-11-18, 2620👍, 0💬