Molecule FYI-1004224

A

Molecule Summary:

ID: FYI-1004224
Names:
InChIKey: TWBSPQVVSGKNOA-UHFFFAOYSA-N
SMILES: O=C(Cc1ccccc1)Nc4cccc(NC(=O)c2cccc3cc(O)ccc23)c4

Received at FYIcenter.com on: 2023-08-23

Molecule ID: FYI-1004224 Edit

Molecule Structure InChIKey: TWBSPQVVSGKNOA-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C(Cc1ccccc1)Nc4cccc(NC(=O)c2cccc3cc(O)ccc23)c4

Download SDF Download SVG Structure in 2D SDF:

FYI-1004224
FYIcenter.com

 30 33  0  0  0  0  0  0  0  0999 V2000
    7.2747    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    4.9000    0.0000 C   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
    4.8497    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248   10.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2808    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4872    2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9121    2.7998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9121    4.1998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6998    4.8999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4873    4.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  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
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 15 14  1  0  0  0  0
 16 14  1  0  0  0  0
 17 16  2  0  0  0  0
 18 17  1  0  0  0  0
 18  8  1  0  0  0  0
 18 12  2  0  0  0  0
 19  7  2  0  0  0  0
 20  5  2  0  0  0  0
 21 20  1  0  0  0  0
 22 21  2  0  0  0  0
 22  3  1  0  0  0  0
 23  1  2  0  0  0  0
  1 24  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 25 30  1  0  0  0  0
 25 26  2  0  0  0  0
 24 25  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004224-3D
FYIcenter.com

 50 53  0  0  0  0  0  0  0  0999 V2000
    2.5718    0.0655    1.1589 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3167   -0.5463    0.1111 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8701   -0.6600   -0.3511 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2529    0.5786   -0.9712 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7984    0.4247   -1.8920 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4604    1.5362   -2.4202 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0884    2.8194   -2.0304 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0582    2.9898   -1.1091 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6024    1.8781   -0.5768 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2427   -1.1514   -0.7384 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6495   -1.2550   -0.5475 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2847   -0.7559    0.5868 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6631   -0.8813    0.7308 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4212   -1.5395   -0.2428 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8165   -2.1017   -1.3627 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5380   -2.8398   -2.3424 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9170   -3.0311   -2.3676 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7354   -2.4995   -1.6225 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4407   -4.0560   -3.3186 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5557   -4.7948   -2.8626 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0872   -5.8387   -3.6124 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4133   -6.2554   -4.7453 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3129   -5.5273   -5.2033 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6830   -5.9606   -6.3517 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1847   -5.0261   -7.2254 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0960   -5.3508   -8.5429 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8615   -3.7702   -6.7562 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1140   -3.4559   -5.4094 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9140   -4.3177   -4.6071 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4223   -1.9508   -1.5077 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2768   -0.9281    0.5321 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7877   -1.5034   -1.0464 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1271   -0.5681   -2.1916 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2774    1.3995   -3.1240 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6095    3.6849   -2.4314 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2223    3.9902   -0.7881 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3792    2.0499    0.1661 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8802   -1.5468   -1.5982 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7489   -0.2462    1.3814 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1649   -0.4551    1.5989 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4913   -1.5900   -0.0735 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9797   -3.3378   -3.0218 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0336   -4.5372   -1.9188 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0038   -6.3350   -3.3062 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8130   -7.0800   -5.3346 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1319   -6.9060   -6.2869 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7430   -6.0689   -8.6983 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4343   -3.0354   -7.4309 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8345   -2.4675   -5.0533 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9256   -2.3799   -2.3683 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2 10  1  0  0  0  0
  3  4  1  0  0  0  0
  3 31  1  0  0  0  0
  3 32  1  0  0  0  0
  4  5  1  0  0  0  0
  4  9  2  0  0  0  0
  5  6  2  0  0  0  0
  5 33  1  0  0  0  0
  6  7  1  0  0  0  0
  6 34  1  0  0  0  0
  7  8  2  0  0  0  0
  7 35  1  0  0  0  0
  8  9  1  0  0  0  0
  8 36  1  0  0  0  0
  9 37  1  0  0  0  0
 10 11  1  0  0  0  0
 10 38  1  0  0  0  0
 11 12  1  0  0  0  0
 11 30  2  0  0  0  0
 12 13  2  0  0  0  0
 12 39  1  0  0  0  0
 13 14  1  0  0  0  0
 13 40  1  0  0  0  0
 14 15  2  0  0  0  0
 14 41  1  0  0  0  0
 15 16  1  0  0  0  0
 15 30  1  0  0  0  0
 16 17  1  0  0  0  0
 16 42  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 29  2  0  0  0  0
 20 21  2  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
 23 24  1  0  0  0  0
 23 29  1  0  0  0  0
 24 25  2  0  0  0  0
 24 46  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
 26 47  1  0  0  0  0
 27 28  2  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
 30 50  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-09-10, 2273👍, 0💬