Molecule FYI-1012981

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A

Molecule Summary:

ID: FYI-1012981
Names:
InChIKey: CPCZNJSFVOOZOG-UHFFFAOYSA-N
SMILES: CCc2ccc(NC(=O)Nc1ccccc1)cc2

Received at FYIcenter.com on: 2024-11-04

Molecule ID: FYI-1012981 Edit

Molecule Structure InChIKey: CPCZNJSFVOOZOG-UHFFFAOYSA-N

Molecule Structure SMILES String: CCc2ccc(NC(=O)Nc1ccccc1)cc2

Download SDF Download SVG Structure in 2D SDF:

FYI-1012981
FYIcenter.com

 18 19  0  0  0  0  0  0  0  0999 V2000
    6.0622    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  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  5  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
  9  4  1  0  0  0  0
 10  2  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 14  1  0  0  0  0
 18 17  2  0  0  0  0
 18 11  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1012981-3D
FYIcenter.com

 34 35  0     0  0  0  0  0  0999 V2000
    0.7205   -1.1809   -0.1301 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3510    0.9004   -0.0329 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9556    0.7978    0.0369 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4076   -0.1084   -0.2317 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8533   -0.4679   -0.3032 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7033    0.5638   -0.0993 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0256    1.2295   -0.1346 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4376   -1.1104   -0.2626 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6735    1.5656   -0.0684 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0853   -0.7743   -0.1964 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4634   -0.6972    1.0772 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2906    0.3294    0.0513 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7755    0.0420   -0.0504 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3282    1.2425    0.1438 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5324   -1.0323   -0.0268 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6444    0.7811    0.1585 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8486   -1.4937   -0.0120 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9047   -0.5870    0.0806 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4107    0.3230   -0.8205 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9852   -1.3701   -0.9136 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7719    2.0192   -0.1078 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7238   -2.1564   -0.3364 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3901    2.6124    0.0075 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3968   -1.6066   -0.2253 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9569   -1.5132    1.6035 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5223   -0.9582    0.9836 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3881    0.2021    1.6979 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1514    1.8951    0.0367 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8466    1.8070    0.0974 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1365    2.3102    0.2051 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7742   -1.7973   -0.1003 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4667    1.4869    0.2307 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0530   -2.5589   -0.0726 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9295   -0.9464    0.0920 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  2  0  0  0  0
  2  6  1  0  0  0  0
  2 13  1  0  0  0  0
  2 28  1  0  0  0  0
  3 12  1  0  0  0  0
  3 13  1  0  0  0  0
  3 29  1  0  0  0  0
  4  5  1  0  0  0  0
  4  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5 11  1  0  0  0  0
  5 19  1  0  0  0  0
  5 20  1  0  0  0  0
  6  9  2  0  0  0  0
  6 10  1  0  0  0  0
  7  9  1  0  0  0  0
  7 21  1  0  0  0  0
  8 10  2  0  0  0  0
  8 22  1  0  0  0  0
  9 23  1  0  0  0  0
 10 24  1  0  0  0  0
 11 25  1  0  0  0  0
 11 26  1  0  0  0  0
 11 27  1  0  0  0  0
 12 14  2  0  0  0  0
 12 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 30  1  0  0  0  0
 15 17  2  0  0  0  0
 15 31  1  0  0  0  0
 16 18  2  0  0  0  0
 16 32  1  0  0  0  0
 17 18  1  0  0  0  0
 17 33  1  0  0  0  0
 18 34  1  0  0  0  0
M  END
$$$$

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2024-11-23, 829👍, 0💬