Molecule FYI-1005188

A

Molecule Summary:

ID: FYI-1005188
Names:
InChIKey: BHYUEWHTLVOSCZ-UHFFFAOYSA-N
SMILES: CCN(C(=O)COC(=O)C3C=C(c1ccco1)N=C2C=CC=CC23)c5c(N)n(CC4C=CC=CC4)c(=O)[nH]c5=O

Received at FYIcenter.com on: 2023-10-17

Molecule ID: FYI-1005188 Edit

Molecule Structure InChIKey: BHYUEWHTLVOSCZ-UHFFFAOYSA-N

Molecule Structure SMILES String: CCN(C(=O)COC(=O)C3C=C(c1ccco1)N=C2C=CC=CC23)c5c(N)n(CC4C=CC=CC4)c(=O)[nH]c5=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1005188
FYIcenter.com

 40 44  0  0  0  0  0  0  0  0999 V2000
   14.3401    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1276    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9152    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.7028    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7028    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4903    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2779    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0654    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0654    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8530    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6406    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4281    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4281    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6406    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6406    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8530    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.9152    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1276    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3401    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.1276    8.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   14.3401   13.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1276   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1276   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9152    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9152   10.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7028    8.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.7028    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4903    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  2  0  0  0  0
  6  4  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  8  1  0  0  0  0
 11 10  1  0  0  0  0
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 21 20  2  0  0  0  0
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 23 22  2  0  0  0  0
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 35 30  1  0  0  0  0
 36 28  1  0  0  0  0
 37 36  2  0  0  0  0
 38 36  1  0  0  0  0
 39 38  1  0  0  0  0
 39 25  1  0  0  0  0
 40 39  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005188-3D
FYIcenter.com

 69 73  0  0  1  0  0  0  0  0999 V2000
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M  END
$$$$

✍: FYIcenter.com

2023-11-02, 443👍, 0💬