Molecule FYI-1003049

A

Molecule Summary:

ID: FYI-1003049
Names:
InChIKey: IDMSVEDHPUHLPT-SCDVKCJHSA-N
SMILES: CC(=O)Nc3ccc(C/C(=C/CC(=O)NC1CC1)C(=O)N(C)Cc2ccc(O)cc2)cc3

Received at FYIcenter.com on: 2023-05-09

Molecule ID: FYI-1003049 Edit

Molecule Structure InChIKey: IDMSVEDHPUHLPT-SCDVKCJHSA-N

Molecule Structure SMILES String: CC(=O)Nc3ccc(C/C(=C/CC(=O)NC1CC1)C(=O)N(C)Cc2ccc(O)cc2)cc3

Download SDF Download SVG Structure in 2D SDF:

FYI-1003049
FYIcenter.com

 32 34  0  0  0  0  0  0  0  0999 V2000
    0.0000   10.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    9.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248   10.3124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    9.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497   10.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    9.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    8.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    7.5124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.1124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    5.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    6.1124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    5.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    7.5124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    8.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    9.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243   10.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    7.5124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    8.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    9.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492   10.3124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.0124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.9124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2373    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.0124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.5124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    8.2124    0.0000 O   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  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
  8  7  1  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  1  0  0  0  0
 13 11  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 16 15  1  0  0  0  0
 17 14  1  0  0  0  0
 18 17  2  0  0  0  0
 19 18  1  0  0  0  0
 19 16  2  0  0  0  0
 20 19  1  0  0  0  0
 21 10  2  0  0  0  0
 22  9  2  0  0  0  0
 23 22  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 26  1  0  0  0  0
 29 24  2  0  0  0  0
 30  7  1  0  0  0  0
 31 30  2  0  0  0  0
 31  4  1  0  0  0  0
 32  2  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003049-3D
FYIcenter.com

 61 63  0  0  0  0  0  0  0  0999 V2000
    4.2197   -1.4040    6.1354 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3647   -1.2094    5.1804 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4583   -1.7134    5.4155 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0267   -0.4301    4.0845 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8874   -0.1403    3.0049 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0261   -0.9031    2.7342 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9418   -0.4970    1.7644 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7289    0.6864    1.0597 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8698    1.3151    0.2976 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3998    0.7020   -0.9658 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5689    0.0068   -1.7786 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8074   -0.5956   -3.1357 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6361   -0.2967   -4.0840 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6160    0.3088   -3.7773 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8655   -0.8011   -5.3562 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0167   -0.5423   -6.4736 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4399   -1.0034   -7.8442 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4380    0.4617   -7.5180 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8971    0.8132   -1.2273 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4451   -0.1247   -1.8202 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6507    1.8760   -0.7195 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.1721    3.1969   -0.3208 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1213    1.7618   -0.7221 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6228    1.5240    0.6920 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4456    0.2601    1.2745 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7065    0.0577    2.6303 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1601    1.1191    3.4055 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3644    0.9790    4.7466 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3980    2.3654    2.8381 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1383    2.5677    1.4800 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5247    1.3856    1.2383 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6015    0.9676    2.2020 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5900   -1.9011    7.0376 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4621   -2.0384    5.6691 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7886   -0.4419    6.4217 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1740    0.1117    4.1453 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2502   -1.8045    3.2892 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8550   -1.0696    1.6262 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6755    1.3909    1.0379 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5396    2.3248    0.0286 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5342   -0.1153   -1.4513 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9010   -1.6832   -3.0448 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7093   -0.1912   -3.6010 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7395   -1.2806   -5.5291 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9547   -0.5961   -6.2455 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6776   -1.3709   -8.5195 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3983   -1.4968   -7.9523 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6721    1.0780   -7.9698 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3898    0.9618   -7.3870 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2439    3.1958    0.2289 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0490    3.8058   -1.2179 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8938    3.6793    0.3441 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.5411    2.6929   -1.1283 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.4743    0.9564   -1.3738 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0610   -0.5611    0.6729 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.5315   -0.9211    3.0619 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.0723    0.0901    5.0085 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.7533    3.1835    3.4595 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.2988    3.5573    1.0591 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3317    2.2998    0.6790 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7087    1.5666    2.3595 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  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 36  1  0  0  0  0
  5  6  1  0  0  0  0
  5 32  2  0  0  0  0
  6  7  2  0  0  0  0
  6 37  1  0  0  0  0
  7  8  1  0  0  0  0
  7 38  1  0  0  0  0
  8  9  1  0  0  0  0
  8 31  2  0  0  0  0
  9 10  1  0  0  0  0
  9 39  1  0  0  0  0
  9 40  1  0  0  0  0
 10 11  2  0  0  0  0
 10 19  1  0  0  0  0
 11 12  1  0  0  0  0
 11 41  1  0  0  0  0
 12 13  1  0  0  0  0
 12 42  1  0  0  0  0
 12 43  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 44  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 45  1  0  0  0  0
 17 18  1  0  0  0  0
 17 46  1  0  0  0  0
 17 47  1  0  0  0  0
 18 48  1  0  0  0  0
 18 49  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 50  1  0  0  0  0
 22 51  1  0  0  0  0
 22 52  1  0  0  0  0
 23 24  1  0  0  0  0
 23 53  1  0  0  0  0
 23 54  1  0  0  0  0
 24 25  1  0  0  0  0
 24 30  2  0  0  0  0
 25 26  2  0  0  0  0
 25 55  1  0  0  0  0
 26 27  1  0  0  0  0
 26 56  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  2  0  0  0  0
 28 57  1  0  0  0  0
 29 30  1  0  0  0  0
 29 58  1  0  0  0  0
 30 59  1  0  0  0  0
 31 32  1  0  0  0  0
 31 60  1  0  0  0  0
 32 61  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-05-31, 2020👍, 0💬