Molecule FYI-1007822

A

Molecule Summary:

ID: FYI-1007822
Names:
InChIKey: ZUANOKHPMVZDOU-UHFFFAOYSA-N
SMILES: Clc4ccc(Nc3nccc(Nc2ccc(N1CCOCC1)cc2Cl)n3)cc4

Received at FYIcenter.com on: 2024-03-18

Molecule ID: FYI-1007822 Edit

Molecule Structure InChIKey: ZUANOKHPMVZDOU-UHFFFAOYSA-N

Molecule Structure SMILES String: Clc4ccc(Nc3nccc(Nc2ccc(N1CCOCC1)cc2Cl)n3)cc4

Download SDF Download SVG Structure in 2D SDF:

FYI-1007822
FYIcenter.com

 28 31  0  0  0  0  0  0  0  0999 V2000
    8.4871    6.3000    0.0000 Cl  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 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    9.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    9.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.9000    0.0000 N   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
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    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
    4.8498    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.7000    0.0000 C   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 O   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
    7.2747    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  2  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
  7  2  1  0  0  0  0
  8  5  1  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
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 14  9  1  0  0  0  0
 15 13  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 20 19  1  0  0  0  0
 21 20  2  0  0  0  0
 21 16  1  0  0  0  0
 22 21  1  0  0  0  0
 23 19  1  0  0  0  0
 24 23  1  0  0  0  0
 25 24  1  0  0  0  0
 26 25  1  0  0  0  0
 27 26  1  0  0  0  0
 28 27  1  0  0  0  0
 28 23  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007822-3D
FYIcenter.com

 47 50  0  0  0  0  0  0  0  0999 V2000
   11.8783   -3.4065    2.5164 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   10.9851   -1.9381    2.5882 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8248   -1.8005    1.8343 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0788   -0.6242    1.9259 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4749    0.4178    2.7750 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7176    1.5914    2.9104 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3229    1.6854    2.8858 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5787    0.6177    3.2100 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2459    0.7676    3.1976 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6276    1.9401    2.8669 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4568    2.9989    2.5680 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8542    4.2529    2.3019 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5441    5.4865    2.2937 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4674    5.7881    3.3013 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1889    6.9853    3.2898 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0169    7.9269    2.2728 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7049    9.1280    2.2327 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4093    9.6589    3.4122 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5142   11.1882    3.2637 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1636   11.5673    2.0360 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4567   11.0287    0.9038 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3841    9.4969    0.9738 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0500    7.6427    1.2938 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3213    6.4479    1.3054 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1510    6.1863    0.0567 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.7991    2.8750    2.5704 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6777    0.2864    3.4796 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4213   -0.8964    3.4039 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4819   -2.6032    1.1884 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1680   -0.5345    1.3388 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1127    2.4147    2.4749 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6809   -0.1120    3.4878 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5505    2.0357    2.8850 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1843    4.1859    1.5431 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6374    5.0799    4.1085 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9067    7.1436    4.0887 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4129    9.2180    3.4719 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8722    9.4389    4.3414 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0957   11.6058    4.0907 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5168   11.6447    3.2901 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9870   11.3387   -0.0012 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4493   11.4622    0.8712 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3989    9.0770    0.9821 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8779    9.1186    0.0805 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8370    8.3781    0.5224 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0130    1.0848    4.1372 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3250   -1.0044    3.9969 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2 28  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  1  0  0  0  0
  5 27  2  0  0  0  0
  6  7  1  0  0  0  0
  6 31  1  0  0  0  0
  7  8  1  0  0  0  0
  7 26  2  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 32  1  0  0  0  0
 10 11  2  0  0  0  0
 10 33  1  0  0  0  0
 11 12  1  0  0  0  0
 11 26  1  0  0  0  0
 12 13  1  0  0  0  0
 12 34  1  0  0  0  0
 13 14  1  0  0  0  0
 13 24  2  0  0  0  0
 14 15  2  0  0  0  0
 14 35  1  0  0  0  0
 15 16  1  0  0  0  0
 15 36  1  0  0  0  0
 16 17  1  0  0  0  0
 16 23  2  0  0  0  0
 17 18  1  0  0  0  0
 17 22  1  0  0  0  0
 18 19  1  0  0  0  0
 18 37  1  0  0  0  0
 18 38  1  0  0  0  0
 19 20  1  0  0  0  0
 19 39  1  0  0  0  0
 19 40  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 41  1  0  0  0  0
 21 42  1  0  0  0  0
 22 43  1  0  0  0  0
 22 44  1  0  0  0  0
 23 24  1  0  0  0  0
 23 45  1  0  0  0  0
 24 25  1  0  0  0  0
 27 28  1  0  0  0  0
 27 46  1  0  0  0  0
 28 47  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-03-23, 149👍, 0💬