Molecule FYI-1014352

Home > Molecule

A

Molecule Summary:

ID: FYI-1014352
Names:
InChIKey: DRCKREXMVGWWIE-UHFFFAOYSA-N
SMILES: O=C(Nc1cccnc1)c2ccc(N(=O)=O)cc2

Received at FYIcenter.com on: 2025-04-03

Molecule ID: FYI-1014352 Edit

Molecule Structure InChIKey: DRCKREXMVGWWIE-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C(Nc1cccnc1)c2ccc(N(=O)=O)cc2

Download SDF Download SVG Structure in 2D SDF:

FYI-1014352
FYIcenter.com

 18 19  0  0  0  0  0  0  0  0999 V2000
    3.6374    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 O   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
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  2  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  7 11  2  0  0  0  0
  7 12  2  0  0  0  0
  9 13  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 13 18  1  0  0  0  0
 13 14  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014352-3D
FYIcenter.com

 27 28  0     0  0  0  0  0  0999 V2000
   -0.9887    1.9323   -0.3560 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7100    0.4717    0.3867 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.2835   -1.5884   -0.2401 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4976   -0.3146    0.0889 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9026   -0.4295    0.0541 N   0  3  0  0  0  0  0  0  0  0  0  0
   -4.9615    0.8950   -0.1818 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7900    0.4598   -0.0753 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6306    0.7671   -0.1202 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7058    1.4465    0.2904 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2373   -0.8213   -0.3983 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5157   -0.1288    0.0096 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9141   -0.3242    0.0791 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0685    1.1523    0.3327 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6001   -1.1156   -0.3558 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6008   -1.4970    0.3078 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6112    0.8350   -0.1587 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9910   -1.4754    0.2919 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6180   -0.2649    0.0448 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3776    2.4495    0.5509 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5674   -1.6106   -0.7259 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0921   -1.2185    0.3158 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7529    1.9453    0.6233 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9135   -2.1220   -0.6219 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0809   -2.4311    0.4987 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1684    1.8008   -0.3482 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5656   -2.3776    0.4675 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7005   -0.1947    0.0218 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  2  0  0  0  0
  2  5  1  0  0  0  0
  3  5  2  0  0  0  0
  4  8  1  0  0  0  0
  4 12  1  0  0  0  0
  4 21  1  0  0  0  0
  5 11  1  0  0  0  0
  6 16  1  0  0  0  0
  6 18  2  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
  9 13  1  0  0  0  0
  9 19  1  0  0  0  0
 10 14  2  0  0  0  0
 10 20  1  0  0  0  0
 11 13  2  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
 12 16  2  0  0  0  0
 13 22  1  0  0  0  0
 14 23  1  0  0  0  0
 15 17  2  0  0  0  0
 15 24  1  0  0  0  0
 16 25  1  0  0  0  0
 17 18  1  0  0  0  0
 17 26  1  0  0  0  0
 18 27  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2025-04-26, 1550👍, 0💬