Molecule FYI-1004624

A

Molecule Summary:

ID: FYI-1004624
Names:
InChIKey: ZJTXAKOOKWYPGM-CYYJNZCTSA-N
SMILES: COc4ccc(/N=N/c3ccc2OC(=O)C(C(=O)Nc1ccc(OC)cc1)Cc2c3)cc4

Received at FYIcenter.com on: 2023-09-15

Molecule ID: FYI-1004624 Edit

Molecule Structure InChIKey: ZJTXAKOOKWYPGM-CYYJNZCTSA-N

Molecule Structure SMILES String: COc4ccc(/N=N/c3ccc2OC(=O)C(C(=O)Nc1ccc(OC)cc1)Cc2c3)cc4

Download SDF Download SVG Structure in 2D SDF:

FYI-1004624
FYIcenter.com

 32 35  0  0  0  0  0  0  0  0999 V2000
    9.6995   15.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871   14.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871   13.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747   12.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621   13.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   13.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   10.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   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
    2.4248    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119   13.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119   14.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244   15.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244   16.8000    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  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 13 11  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  2  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
 22 19  2  0  0  0  0
 23 22  1  0  0  0  0
 23 16  2  0  0  0  0
 24 14  2  0  0  0  0
 25 13  1  0  0  0  0
 26 25  1  0  0  0  0
 26  9  2  0  0  0  0
 27 26  1  0  0  0  0
 27  6  2  0  0  0  0
 28  3  1  0  0  0  0
 29 28  2  0  0  0  0
 30 29  1  0  0  0  0
 30  1  2  0  0  0  0
 31 30  1  0  0  0  0
 32 31  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004624-3D
FYIcenter.com

 53 56  0  0  1  0  0  0  0  0999 V2000
    3.7266    4.4695   -2.6130 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8838    4.3382   -4.0195 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1337    3.0979   -4.5532 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2630    1.8969   -3.8611 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5809    0.7033   -4.5627 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7815    0.6927   -5.9563 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3499   -0.3944   -6.6861 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8162   -1.5147   -6.4976 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6203   -2.5767   -7.0238 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9699   -3.6034   -6.1332 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9181   -4.5565   -6.4875 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4376   -4.5553   -7.7699 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5716   -5.3140   -7.9774 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2522   -6.1793   -8.9647 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1785   -7.3825   -8.7600 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1124   -5.5211  -10.3148 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.8733   -6.6514  -11.3884 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7241   -6.8191  -12.2623 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7493   -7.4630  -11.2517 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4573   -8.7039  -11.9157 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3304   -9.4352  -12.7357 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9264  -10.6494  -13.3633 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6368  -11.1452  -13.1867 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0850  -12.2611  -13.7505 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8564  -13.0221  -14.6751 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7787  -10.4471  -12.3388 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1869   -9.2597  -11.7014 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2532   -4.2015  -10.2214 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9062   -3.7722   -8.7915 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0611   -2.7019   -8.3802 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6050    1.9136   -6.6206 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2869    3.0975   -5.9311 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5053    5.5040   -2.4010 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6546    4.2087   -2.0871 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8846    3.8651   -2.2542 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1564    1.8548   -2.7817 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7164   -0.2132   -3.9921 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5489   -3.6302   -5.1324 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2614   -5.2984   -5.7738 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1224   -5.1791  -10.5550 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0847   -7.2117  -10.5340 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3543   -9.1063  -12.8956 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6470  -11.1775  -13.9818 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1989  -13.7884  -15.1028 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6751  -13.5386  -14.1677 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2228  -12.4097  -15.5047 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7733  -10.8268  -12.1743 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4699   -8.7673  -11.0489 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3321   -4.2992  -10.8114 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8325   -3.3824  -10.6848 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7334   -1.9474   -9.0914 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7524    1.9629   -7.6966 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1945    4.0303   -6.4836 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 33  1  0  0  0  0
  1 34  1  0  0  0  0
  1 35  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 32  2  0  0  0  0
  4  5  2  0  0  0  0
  4 36  1  0  0  0  0
  5  6  1  0  0  0  0
  5 37  1  0  0  0  0
  6  7  1  0  0  0  0
  6 31  2  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 30  2  0  0  0  0
 10 11  2  0  0  0  0
 10 38  1  0  0  0  0
 11 12  1  0  0  0  0
 11 39  1  0  0  0  0
 12 13  1  0  0  0  0
 12 29  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 28  1  0  0  0  0
 16 40  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 41  1  0  0  0  0
 20 21  1  0  0  0  0
 20 27  2  0  0  0  0
 21 22  2  0  0  0  0
 21 42  1  0  0  0  0
 22 23  1  0  0  0  0
 22 43  1  0  0  0  0
 23 24  1  0  0  0  0
 23 26  2  0  0  0  0
 24 25  1  0  0  0  0
 25 44  1  0  0  0  0
 25 45  1  0  0  0  0
 25 46  1  0  0  0  0
 26 27  1  0  0  0  0
 26 47  1  0  0  0  0
 27 48  1  0  0  0  0
 28 29  1  0  0  0  0
 28 49  1  0  0  0  0
 28 50  1  0  0  0  0
 29 30  1  0  0  0  0
 30 51  1  0  0  0  0
 31 32  1  0  0  0  0
 31 52  1  0  0  0  0
 32 53  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-09-23, 1432👍, 0💬