Molecule FYI-1006537

A

Molecule Summary:

ID: FYI-1006537
Names:
InChIKey: VJGJBUZRYNXHEQ-UHFFFAOYSA-N
SMILES: Cc4ccc(CNC1=C(N(=O)=O)N(C)C3(C1)OC(=O)c2ccccc23)cc4

Received at FYIcenter.com on: 2024-01-01

Molecule ID: FYI-1006537 Edit

Molecule Structure InChIKey: VJGJBUZRYNXHEQ-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc4ccc(CNC1=C(N(=O)=O)N(C)C3(C1)OC(=O)c2ccccc23)cc4

Download SDF Download SVG Structure in 2D SDF:

FYI-1006537
FYIcenter.com

 27 30  0  0  0  0  0  0  0  0999 V2000
   12.9186    4.7552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7061    4.0552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4272    4.6247    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4904    3.5843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7904    4.7967    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.3598    6.0757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4210    4.5056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3806    5.4425    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6717    6.8118    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0491    5.0097    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    3.1133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    2.4133    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.1133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.4133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.1133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.4133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.0133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.3133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    1.0133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.1904    2.3719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7577    1.0403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6946    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0639    0.2911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4965    1.6225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5598    2.6629    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
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  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  5  1  0  0  0  0
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  9  8  2  0  0  0  0
 10  8  2  0  0  0  0
 11  7  2  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 18 17  1  0  0  0  0
 19 17  1  0  0  0  0
 20 19  2  0  0  0  0
 20 14  1  0  0  0  0
 21 11  1  0  0  0  0
 21  4  1  0  0  0  0
 22  4  1  0  0  0  0
 23 22  2  0  0  0  0
 24 23  1  0  0  0  0
 25 24  2  0  0  0  0
 26 25  1  0  0  0  0
 27 26  2  0  0  0  0
 27 22  1  0  0  0  0
 27  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006537-3D
FYIcenter.com

 46 49  0  0  1  0  0  0  0  0999 V2000
    0.5074   -0.3049    4.3703 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6231   -0.1580    3.3980 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0918    1.1060    3.0315 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1445    1.2445    2.1227 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7513    0.1229    1.5409 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9065    0.2423    0.5612 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1288    1.6392    0.1249 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3810    2.0874   -0.2947 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9792    2.1686   -1.5041 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1758    1.8269   -2.6889 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9652    2.1061   -2.6609 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7644    1.3309   -3.6577 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2551    2.7614   -1.4756 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3926    2.1498   -2.1637 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4880    3.2912   -0.1213 C   0  0  3  0  0  0  0  0  0  0  0  0
   -6.2366    2.8634    0.6940 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -9.6220    3.7271    0.6563 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.7522    3.5707    1.0839 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0162    4.9991    0.2895 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5576    6.2698    0.3852 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7327    7.3478    0.0605 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4101    7.1266   -0.3561 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9059    5.8253   -0.4784 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.3584   -0.8070    3.8975 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1 28  1  0  0  0  0
  1 29  1  0  0  0  0
  1 30  1  0  0  0  0
  2  3  1  0  0  0  0
  2 27  2  0  0  0  0
  3  4  2  0  0  0  0
  3 31  1  0  0  0  0
  4  5  1  0  0  0  0
  4 32  1  0  0  0  0
  5  6  1  0  0  0  0
  5 26  2  0  0  0  0
  6  7  1  0  0  0  0
  6 33  1  0  0  0  0
  6 34  1  0  0  0  0
  7  8  1  0  0  0  0
  7 35  1  0  0  0  0
  8  9  2  0  0  0  0
  8 16  1  0  0  0  0
  9 10  1  0  0  0  0
  9 13  1  0  0  0  0
 10 11  2  0  0  0  0
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 13 14  1  0  0  0  0
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 14 37  1  0  0  0  0
 14 38  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 25  1  0  0  0  0
 16 39  1  0  0  0  0
 16 40  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 25  2  0  0  0  0
 21 22  2  0  0  0  0
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 22 23  1  0  0  0  0
 22 42  1  0  0  0  0
 23 24  2  0  0  0  0
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 24 25  1  0  0  0  0
 24 44  1  0  0  0  0
 26 27  1  0  0  0  0
 26 45  1  0  0  0  0
 27 46  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-01-10, 1067👍, 0💬