Molecule FYI-1015357

A

Molecule Summary:

ID: FYI-1015357
Names:
InChIKey: AEJBWDQNYSNOHO-ZDUSSCGKSA-N
SMILES: Cc2c(Cl)ccc3[nH]c([C@]1(C)CCCN1N=O)nc23

Received at FYIcenter.com on: 2025-08-12

Molecule ID: FYI-1015357 Edit

Molecule Structure InChIKey: AEJBWDQNYSNOHO-ZDUSSCGKSA-N

Molecule Structure SMILES String: Cc2c(Cl)ccc3[nH]c([C@]1(C)CCCN1N=O)nc23

Download SDF Download SVG Structure in 2D SDF:

FYI-1015357
FYIcenter.com

 19 21  0  0  1  0  0  0  0  0999 V2000
    4.7656    7.2449    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9119    5.8526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2813    5.5615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9813    6.7739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0445    7.8143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8714    4.9157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5021    5.2069    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8021    3.9944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7388    2.9540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0179    3.5234    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3062    1.6225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9369    1.3314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.3719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4326    3.7033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5041    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.2430    0.5821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6049    6.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5531    7.9449    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3407    7.2449    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  1  0  0  0  0
  5  1  1  0  0  0  0
  6  2  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 10  6  2  0  0  0  0
 11  9  2  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 14 13  1  0  0  0  0
 14  8  2  0  0  0  0
 15 12  1  0  0  0  0
 16 11  1  0  0  0  0
  2 17  1  6  0  0  0
 18  1  1  0  0  0  0
 19 18  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015357-3D
FYIcenter.com

 34 36  0  0  1  0  0  0  0  0999 V2000
    0.9284    0.1587   -0.0748 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4246    0.0580   -0.1294 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1165   -1.1765   -0.1050 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2803   -2.6923   -0.0128 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.5170   -1.2480   -0.1459 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2999   -0.0963   -0.2229 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6109    1.1118   -0.2434 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0569    2.4039   -0.2858 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9845    3.2536   -0.1665 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1695    4.7566   -0.0283 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.0728    5.3493    0.8892 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1155    5.4284   -1.4132 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9104    6.7236   -1.2588 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6955    6.5622    0.0359 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5594    5.1403    0.3741 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9154    4.8641    1.6051 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6977    3.9056    1.6068 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8586    2.5600   -0.1728 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2282    1.2231   -0.1851 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4213   -0.8101   -0.0635 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5612    0.7028   -0.9492 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6234    0.6949    0.8305 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0118   -2.2155   -0.1154 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3801   -0.1496   -0.2517 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0239    2.7003   -0.2781 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0725    5.0616    0.5449 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0925    6.4447    0.9110 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1748    4.9952    1.9211 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0942    5.6232   -1.7588 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6017    4.8079   -2.1788 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2426    7.5900   -1.1969 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5760    6.8719   -2.1161 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2726    7.2167    0.8108 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7447    6.8493   -0.0997 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 20  1  0  0  0  0
  1 21  1  0  0  0  0
  1 22  1  0  0  0  0
  2  3  1  0  0  0  0
  2 19  2  0  0  0  0
  3  4  1  0  0  0  0
  3  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5 23  1  0  0  0  0
  6  7  2  0  0  0  0
  6 24  1  0  0  0  0
  7  8  1  0  0  0  0
  7 19  1  0  0  0  0
  8  9  1  0  0  0  0
  8 25  1  0  0  0  0
  9 10  1  0  0  0  0
  9 18  2  0  0  0  0
 10 11  1  1  0  0  0
 10 12  1  0  0  0  0
 10 15  1  0  0  0  0
 11 26  1  0  0  0  0
 11 27  1  0  0  0  0
 11 28  1  0  0  0  0
 12 13  1  0  0  0  0
 12 29  1  0  0  0  0
 12 30  1  0  0  0  0
 13 14  1  0  0  0  0
 13 31  1  0  0  0  0
 13 32  1  0  0  0  0
 14 15  1  0  0  0  0
 14 33  1  0  0  0  0
 14 34  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 18 19  1  0  0  0  0
M  END
$$$$

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2025-08-18, 1105👍, 0💬