Molecule FYI-1004466

A

Molecule Summary:

ID: FYI-1004466
Names:
InChIKey: SDLHRUDTCAGBLQ-UHFFFAOYSA-N
SMILES: O=C(Nc2cccc(NC(=O)c1ccccc1)c2)c3ccccc3

Received at FYIcenter.com on: 2023-09-07

Molecule ID: FYI-1004466 Edit

Molecule Structure InChIKey: SDLHRUDTCAGBLQ-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C(Nc2cccc(NC(=O)c1ccccc1)c2)c3ccccc3

Download SDF Download SVG Structure in 2D SDF:

FYI-1004466
FYIcenter.com

 24 26  0  0  0  0  0  0  0  0999 V2000
    7.2746    9.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    9.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.3000    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  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 10  1  0  0  0  0
 13 12  2  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 12  1  0  0  0  0
 17 16  2  0  0  0  0
 18  8  2  0  0  0  0
 18  4  1  0  0  0  0
 19  2  1  0  0  0  0
 20 19  2  0  0  0  0
 21 20  1  0  0  0  0
 22 21  2  0  0  0  0
 23 22  1  0  0  0  0
 24 23  2  0  0  0  0
 24 19  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004466-3D
FYIcenter.com

 40 42  0     0  0  0  0  0  0999 V2000
   -4.0106    1.8949   -0.0056 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0298    1.8778    0.0050 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4174    0.1723   -0.0022 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4156    0.1683    0.0035 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1899    0.8792   -0.0005 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2076    0.8663    0.0017 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0010    0.1700    0.0009 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2072    2.2635   -0.0011 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2088    2.2612    0.0013 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0015    2.9597   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7924   -0.2958    0.0217 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8083   -0.3141   -0.0223 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7211    0.6876   -0.0047 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7150    0.6926    0.0049 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0374    0.0127   -0.5265 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5737   -1.5487    0.5943 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0305    0.0145    0.5254 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5637   -1.5452   -0.5937 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0635   -0.9318   -0.5023 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5999   -2.4931    0.6186 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0552   -0.9315    0.5008 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5885   -2.4912   -0.6183 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8447   -2.1848    0.0703 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8343   -2.1844   -0.0710 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0058   -0.9174    0.0013 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0966    2.8753   -0.0022 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1005    2.8717    0.0019 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3006   -0.8363   -0.0443 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3042   -0.8406    0.0494 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0026    4.0461   -0.0005 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2272    0.9811   -0.9822 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6355   -1.8217    1.0680 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2175    0.9828    0.9798 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6252   -1.8124   -1.0676 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0326   -0.6922   -0.9299 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4331   -3.4658    1.0723 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0251   -0.6932    0.9277 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4200   -3.4637   -1.0720 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6442   -2.9195    0.0909 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6328   -2.9203   -0.0919 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  2  0  0  0  0
  2 14  2  0  0  0  0
  3  5  1  0  0  0  0
  3 13  1  0  0  0  0
  3 28  1  0  0  0  0
  4  6  1  0  0  0  0
  4 14  1  0  0  0  0
  4 29  1  0  0  0  0
  5  7  2  0  0  0  0
  5  8  1  0  0  0  0
  6  7  1  0  0  0  0
  6  9  2  0  0  0  0
  7 25  1  0  0  0  0
  8 10  2  0  0  0  0
  8 26  1  0  0  0  0
  9 10  1  0  0  0  0
  9 27  1  0  0  0  0
 10 30  1  0  0  0  0
 11 13  1  0  0  0  0
 11 15  2  0  0  0  0
 11 16  1  0  0  0  0
 12 14  1  0  0  0  0
 12 17  2  0  0  0  0
 12 18  1  0  0  0  0
 15 19  1  0  0  0  0
 15 31  1  0  0  0  0
 16 20  2  0  0  0  0
 16 32  1  0  0  0  0
 17 21  1  0  0  0  0
 17 33  1  0  0  0  0
 18 22  2  0  0  0  0
 18 34  1  0  0  0  0
 19 23  2  0  0  0  0
 19 35  1  0  0  0  0
 20 23  1  0  0  0  0
 20 36  1  0  0  0  0
 21 24  2  0  0  0  0
 21 37  1  0  0  0  0
 22 24  1  0  0  0  0
 22 38  1  0  0  0  0
 23 39  1  0  0  0  0
 24 40  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-09-10, 1321👍, 0💬