Molecule FYI-1005763

A

Molecule Summary:

ID: FYI-1005763
Names:
InChIKey: LMFOYEUWVQZEAW-UHFFFAOYSA-N
SMILES: NC(=O)Nc2ccc(Cc1ccc(NC(N)=O)cc1)cc2

Received at FYIcenter.com on: 2023-11-13

Molecule ID: FYI-1005763 Edit

Molecule Structure InChIKey: LMFOYEUWVQZEAW-UHFFFAOYSA-N

Molecule Structure SMILES String: NC(=O)Nc2ccc(Cc1ccc(NC(N)=O)cc1)cc2

Download SDF Download SVG Structure in 2D SDF:

FYI-1005763
FYIcenter.com

 21 22  0  0  0  0  0  0  0  0999 V2000
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    8.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    8.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871   10.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 C   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  2  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  1  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
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 16  2  0  0  0  0
 19 14  2  0  0  0  0
 20 19  1  0  0  0  0
 20 11  2  0  0  0  0
 21  9  1  0  0  0  0
 21  1  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005763-3D
FYIcenter.com

 37 38  0     0  0  0  0  0  0999 V2000
    5.5047    1.1331   -1.5016 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5067    1.1323    1.5017 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7070    0.8272    0.6937 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7089    0.8270   -0.6937 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6354    2.0285    0.2707 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6374    2.0280   -0.2704 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0009   -2.2676   -0.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2559   -1.4414    0.1850 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2379   -1.4544   -0.1827 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6385   -1.0743    1.4623 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6403   -1.0741   -1.4629 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9906   -1.0741   -0.9278 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9925   -1.0745    0.9273 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5499    0.0665    0.5229 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5517    0.0663   -0.5231 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7953   -0.3137    1.6327 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7972   -0.3135   -1.6331 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1475   -0.3137   -0.7574 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1493   -0.3142    0.7570 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5915    1.3035   -0.2883 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5934    1.3030    0.2883 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1214   -2.9459    0.8559 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1309   -2.9457   -0.8553 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0581   -1.3660    2.3326 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0624   -1.3637   -2.3366 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6849   -1.3664   -1.9282 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6899   -1.3652    1.9300 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0972   -0.0245    2.6362 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0990   -0.0241   -2.6365 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6791   -0.0577   -1.6631 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6810   -0.0584    1.6628 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9392    1.0676    1.6543 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9412    1.0676   -1.6542 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3585    2.4391   -0.3104 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7102    2.1712    1.2721 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3606    2.4385    0.3108 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7121    2.1709   -1.2718 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 20  2  0  0  0  0
  2 21  2  0  0  0  0
  3 14  1  0  0  0  0
  3 20  1  0  0  0  0
  3 32  1  0  0  0  0
  4 15  1  0  0  0  0
  4 21  1  0  0  0  0
  4 33  1  0  0  0  0
  5 20  1  0  0  0  0
  5 34  1  0  0  0  0
  5 35  1  0  0  0  0
  6 21  1  0  0  0  0
  6 36  1  0  0  0  0
  6 37  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 22  1  0  0  0  0
  7 23  1  0  0  0  0
  8 10  2  0  0  0  0
  8 12  1  0  0  0  0
  9 11  2  0  0  0  0
  9 13  1  0  0  0  0
 10 16  1  0  0  0  0
 10 24  1  0  0  0  0
 11 17  1  0  0  0  0
 11 25  1  0  0  0  0
 12 18  2  0  0  0  0
 12 26  1  0  0  0  0
 13 19  2  0  0  0  0
 13 27  1  0  0  0  0
 14 16  2  0  0  0  0
 14 18  1  0  0  0  0
 15 17  2  0  0  0  0
 15 19  1  0  0  0  0
 16 28  1  0  0  0  0
 17 29  1  0  0  0  0
 18 30  1  0  0  0  0
 19 31  1  0  0  0  0
M  END
$$$$

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2023-11-18, 1347👍, 0💬