Molecule FYI-1006632

A

Molecule Summary:

ID: FYI-1006632
Names:
InChIKey: IBZJQOBQABIKJL-UHFFFAOYSA-N
SMILES: Cc1ccccc1CNC(=O)NCc3ccc(Cc2c[nH]cn2)cc3

Received at FYIcenter.com on: 2024-01-06

Molecule ID: FYI-1006632 Edit

Molecule Structure InChIKey: IBZJQOBQABIKJL-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc1ccccc1CNC(=O)NCc3ccc(Cc2c[nH]cn2)cc3

Download SDF Download SVG Structure in 2D SDF:

FYI-1006632
FYIcenter.com

 25 27  0  0  0  0  0  0  0  0999 V2000
   14.0369    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4695    1.3314    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3369    2.1543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2043    1.3314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6369    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3369    3.5543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1245    4.2543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1245    5.6543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9121    6.3544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6997    5.6543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6997    4.2543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9121    3.5543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    6.3544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    5.6543    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    6.3544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    7.7544    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    5.6543    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    6.3544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    5.6543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    6.3544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.6543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    3.5543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    4.2543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    3.5543    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  2  0  0  0  0
  5  4  1  0  0  0  0
  5  1  1  0  0  0  0
  6  3  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  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
 12  7  1  0  0  0  0
 13 10  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 17 15  1  0  0  0  0
 18 17  1  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
 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
 25 24  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006632-3D
FYIcenter.com

 47 49  0  0  0  0  0  0  0  0999 V2000
    2.6508    2.5504   -0.9304 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5352    1.5411   -0.9422 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2279    1.9970   -0.6829 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8598    1.1250   -0.7126 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6591   -0.2167   -1.0091 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6289   -0.6852   -1.2677 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7453    0.1746   -1.2326 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1021   -0.4248   -1.5486 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4458   -1.4773   -0.6068 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3792   -2.4373   -0.9146 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9320   -2.5362   -2.0010 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6240   -3.2521    0.1628 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5799   -4.3438    0.1093 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9203   -5.6607   -0.2180 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7848   -6.0585   -1.5534 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0917   -7.2236   -1.8835 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5202   -8.0288   -0.8859 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6843   -9.2289   -1.2594 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5871  -10.4141   -1.2895 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6553  -10.6883   -2.1182 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1028  -11.9217   -1.7379 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2846  -12.3668   -0.7407 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3574  -11.4850   -0.4499 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7071   -7.6628    0.4570 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3933   -6.4892    0.7856 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2943    3.5376   -0.6134 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0706    2.6616   -1.9350 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4350    2.2524   -0.2286 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0449    3.0470   -0.4615 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8616    1.4966   -0.5141 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5032   -0.8998   -1.0464 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7669   -1.7382   -1.5082 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9027    0.3193   -1.5006 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0957   -0.8233   -2.5700 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3935   -1.2258    0.3679 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8536   -3.3634    0.8040 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0548   -4.4032    1.0956 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3708   -4.1191   -0.6156 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2027   -5.4432   -2.3493 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9836   -7.4937   -2.9311 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2110   -9.0799   -2.2379 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8742   -9.3674   -0.5342 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1263  -10.1216   -2.9084 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8910  -12.4205   -2.1256 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4122  -13.3323   -0.2702 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2971   -8.2867    1.2504 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5034   -6.2200    1.8356 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 26  1  0  0  0  0
  1 27  1  0  0  0  0
  1 28  1  0  0  0  0
  2  3  1  0  0  0  0
  2  7  2  0  0  0  0
  3  4  2  0  0  0  0
  3 29  1  0  0  0  0
  4  5  1  0  0  0  0
  4 30  1  0  0  0  0
  5  6  2  0  0  0  0
  5 31  1  0  0  0  0
  6  7  1  0  0  0  0
  6 32  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 33  1  0  0  0  0
  8 34  1  0  0  0  0
  9 10  1  0  0  0  0
  9 35  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 36  1  0  0  0  0
 13 14  1  0  0  0  0
 13 37  1  0  0  0  0
 13 38  1  0  0  0  0
 14 15  1  0  0  0  0
 14 25  2  0  0  0  0
 15 16  2  0  0  0  0
 15 39  1  0  0  0  0
 16 17  1  0  0  0  0
 16 40  1  0  0  0  0
 17 18  1  0  0  0  0
 17 24  2  0  0  0  0
 18 19  1  0  0  0  0
 18 41  1  0  0  0  0
 18 42  1  0  0  0  0
 19 20  2  0  0  0  0
 19 23  1  0  0  0  0
 20 21  1  0  0  0  0
 20 43  1  0  0  0  0
 21 22  1  0  0  0  0
 21 44  1  0  0  0  0
 22 23  2  0  0  0  0
 22 45  1  0  0  0  0
 24 25  1  0  0  0  0
 24 46  1  0  0  0  0
 25 47  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-01-15, 215👍, 0💬