Molecule FYI-1015423

A

Molecule Summary:

ID: FYI-1015423
Names:
InChIKey: YTIIJMPULSEADP-JXMROGBWSA-N
SMILES: Cc2c(C(=O)/C=C/c1ccccc1Cl)nnn2c4ccc3c(cnn3C)c4

Received at FYIcenter.com on: 2025-09-02

Molecule ID: FYI-1015423 Edit

Molecule Structure InChIKey: YTIIJMPULSEADP-JXMROGBWSA-N

Molecule Structure SMILES String: Cc2c(C(=O)/C=C/c1ccccc1Cl)nnn2c4ccc3c(cnn3C)c4

Download SDF Download SVG Structure in 2D SDF:

FYI-1015423
FYIcenter.com

 27 30  0  0  0  0  0  0  0  0999 V2000
    8.8447    4.1865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5535    2.8171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.2477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.9477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.3477    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    2.2477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.9477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.2477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.9477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.2477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    0.1477    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.4209    0.8554    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7904    0.5643    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4904    1.7767    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8827    1.9230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.0979    0.9367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1384    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3508    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.0597    2.0693    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.9964    3.1098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7056    0.7904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  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  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 13  8  1  0  0  0  0
 14 13  1  0  0  0  0
 15  3  1  0  0  0  0
 16 15  2  0  0  0  0
 17 16  1  0  0  0  0
 17  2  1  0  0  0  0
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 23 22  1  0  0  0  0
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 25 24  1  0  0  0  0
 25 21  1  0  0  0  0
 26 25  1  0  0  0  0
 27 22  2  0  0  0  0
 27 18  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015423-3D
FYIcenter.com

 43 46  0  0  0  0  0  0  0  0999 V2000
    0.5262    0.0237   -0.0534 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9815    0.0407    0.2587 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9922   -0.9213    0.2324 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9495   -2.3867    0.0177 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9317   -3.0485   -0.1269 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3404   -2.9852   -0.0024 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6988   -4.2597   -0.1905 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1365   -4.6266   -0.0953 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9548   -4.5126   -1.2308 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3365   -4.7482   -1.1525 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9254   -5.0904    0.0624 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1308   -5.2139    1.1994 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7474   -4.9930    1.1198 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8299   -5.1778    2.5748 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.1977   -0.2688    0.3663 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9920    1.0325    0.4261 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6637    1.2358    0.5031 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1274    2.5335    0.6839 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7104    3.6331    0.0435 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0779    4.8902    0.0621 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8243    4.9799    0.6934 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2634    3.8985    1.3679 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.9895   -5.0682   -0.3723 H   0  0  0  0  0  0  0  0  0  0  0  0
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    0.8050    7.8390    1.0618 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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  1 29  1  0  0  0  0
  1 30  1  0  0  0  0
  2  3  2  0  0  0  0
  2 17  1  0  0  0  0
  3  4  1  0  0  0  0
  3 15  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6 31  1  0  0  0  0
  7  8  1  0  0  0  0
  7 32  1  0  0  0  0
  8  9  1  0  0  0  0
  8 13  2  0  0  0  0
  9 10  2  0  0  0  0
  9 33  1  0  0  0  0
 10 11  1  0  0  0  0
 10 34  1  0  0  0  0
 11 12  2  0  0  0  0
 11 35  1  0  0  0  0
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 12 36  1  0  0  0  0
 13 14  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 27  2  0  0  0  0
 19 20  2  0  0  0  0
 19 37  1  0  0  0  0
 20 21  1  0  0  0  0
 20 38  1  0  0  0  0
 21 22  2  0  0  0  0
 21 25  1  0  0  0  0
 22 23  1  0  0  0  0
 22 27  1  0  0  0  0
 23 24  2  0  0  0  0
 23 39  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 40  1  0  0  0  0
 26 41  1  0  0  0  0
 26 42  1  0  0  0  0
 27 43  1  0  0  0  0
M  END
$$$$

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2025-11-06, 523👍, 0💬