Molecule FYI-1006384

A

Molecule Summary:

ID: FYI-1006384
Names:
InChIKey: UIXGCPIUEDXKDW-UHFFFAOYSA-N
SMILES: Cc3cc2c(NC(=O)c1ccccc1C(=O)O)cccc2nn3

Received at FYIcenter.com on: 2023-12-13

Molecule ID: FYI-1006384 Edit

Molecule Structure InChIKey: UIXGCPIUEDXKDW-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc3cc2c(NC(=O)c1ccccc1C(=O)O)cccc2nn3

Download SDF Download SVG Structure in 2D SDF:

FYI-1006384
FYIcenter.com

 23 25  0  0  0  0  0  0  0  0999 V2000
    3.6373    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    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
    1.2125    1.4000    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    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    7.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    8.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  7  1  0  0  0  0
 10  9  2  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
 14  9  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 15  2  0  0  0  0
 18  5  2  0  0  0  0
 19 18  1  0  0  0  0
 20 19  2  0  0  0  0
 21 20  1  0  0  0  0
 21  4  2  0  0  0  0
 22 21  1  0  0  0  0
 23 22  2  0  0  0  0
 23  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006384-3D
FYIcenter.com

 36 38  0     0  0  0  0  0  0999 V2000
   -1.3539    2.1362    0.8760 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7666   -2.3488    1.7490 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8017   -0.4027    2.3864 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1348    0.5873   -0.4048 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6073   -0.3042   -0.0023 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4188   -1.6286   -0.2909 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2600    0.0967   -0.2093 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1817    0.9965   -0.1610 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5678    0.5466    0.0411 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0722   -1.2539   -0.5030 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3977    2.3400    0.1347 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5486    0.5532   -0.3343 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7602    1.8941    0.3348 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2759    1.1742    0.1198 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6891    2.7890    0.3828 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1758   -2.0782   -0.5330 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1056   -0.4891    0.3775 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1348    1.0584   -1.4778 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3000   -1.0515   -0.0729 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0231   -3.5269   -0.8440 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3292    0.4960   -1.9281 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9117   -0.5590   -1.2256 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4908   -1.0255    1.5848 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2664   -0.2889   -0.9005 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0973   -1.6866   -0.6993 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6094    3.0844    0.1322 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7634    2.2679    0.5297 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8691    3.8374    0.6023 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6868    1.8798   -2.0294 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7878   -1.8647    0.4584 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3740   -4.0089   -0.1060 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5907   -3.6592   -1.8409 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9917   -4.0374   -0.8258 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8061    0.8800   -2.8252 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8434   -0.9944   -1.5749 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3525   -2.7094    2.5619 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  2  0  0  0  0
  2 23  1  0  0  0  0
  2 36  1  0  0  0  0
  3 23  2  0  0  0  0
  4  8  1  0  0  0  0
  4 14  1  0  0  0  0
  4 24  1  0  0  0  0
  5  6  2  0  0  0  0
  5  9  1  0  0  0  0
  6 16  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  7 10  1  0  0  0  0
  8 11  2  0  0  0  0
  9 13  1  0  0  0  0
 10 16  2  0  0  0  0
 10 25  1  0  0  0  0
 11 15  1  0  0  0  0
 11 26  1  0  0  0  0
 12 14  1  0  0  0  0
 12 17  1  0  0  0  0
 12 18  2  0  0  0  0
 13 15  2  0  0  0  0
 13 27  1  0  0  0  0
 15 28  1  0  0  0  0
 16 20  1  0  0  0  0
 17 19  2  0  0  0  0
 17 23  1  0  0  0  0
 18 21  1  0  0  0  0
 18 29  1  0  0  0  0
 19 22  1  0  0  0  0
 19 30  1  0  0  0  0
 20 31  1  0  0  0  0
 20 32  1  0  0  0  0
 20 33  1  0  0  0  0
 21 22  2  0  0  0  0
 21 34  1  0  0  0  0
 22 35  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-12-29, 2264👍, 0💬