Molecule FYI-1001453

Home > Molecule

A

Molecule Summary:

ID: FYI-1001453
SMILES: CC(=O)c1ccc2c(c1)c1cc(C(C)=O)ccc1n2CCNC(C)C

Received at FYIcenter.com on: 2022-07-29

Molecule ID: FYI-1001453 Edit

Molecule Structure SMILES String: CC(=O)c1ccc2c(c1)c1cc(C(C)=O)ccc1n2CCNC(C)C

Download SDF Download SVG Structure in 2D SDF:

FYI-1001453
FYIcenter.com

 25 27  0  0  0  0  0  0  0  0999 V2000
   11.8820    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4494    1.3315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3862    2.3719    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0800    1.6226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1432    0.5821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7737    0.8732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3411    2.2047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2779    3.2451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6473    2.9540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5779    4.4576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0105    5.7890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0737    6.8295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5064    8.1609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8758    8.4520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5696    9.2013    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7043    6.5384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2717    5.2069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2085    4.1665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.7741    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.0741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.7741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.0741    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.7741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.1741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0741    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  2  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  2  0  0  0  0
  9  4  1  0  0  0  0
 10  8  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  1  0  0  0  0
 15 13  2  0  0  0  0
 16 12  2  0  0  0  0
 17 16  1  0  0  0  0
 18 17  2  0  0  0  0
 18 10  1  0  0  0  0
 19 18  1  0  0  0  0
 19  7  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
 25 23  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001453-3D
FYIcenter.com

 49 51  0  0  0  0  0  0  0  0999 V2000
    1.3993    0.7921   -0.4829 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5326   -0.0526    0.0336 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9030    0.0248    1.2047 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2057   -1.0076   -0.8972 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8312   -1.1118   -2.2371 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4396   -2.0432   -3.0842 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4612   -2.8563   -2.5672 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8678   -2.7630   -1.2356 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2283   -1.8278   -0.3921 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9095   -3.7223   -1.0321 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6837   -4.0850    0.0962 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6424   -5.1014   -0.0190 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4737   -5.5453    1.1320 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9396   -5.4242    2.5389 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5755   -6.0455    0.9279 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8555   -5.7199   -1.2518 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1049   -5.3733   -2.3807 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1291   -4.3723   -2.2498 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2447   -3.8315   -3.1643 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1496   -4.2129   -4.5759 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6101   -3.0776   -5.5032 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6213   -3.4412   -6.9294 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9193   -2.2730   -7.7807 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2976   -1.6671   -7.4950 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8416   -2.6868   -9.2537 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9782    1.3771    0.3410 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6028    0.1586   -0.8828 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7639    1.4869   -1.2441 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0551   -0.4793   -2.6596 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1166   -2.1171   -4.1186 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5273   -1.7494    0.6506 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5260   -3.5565    1.0306 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9042   -5.0818    2.5741 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5663   -4.7314    3.1046 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9705   -6.4123    3.0073 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6147   -6.4975   -1.3439 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2923   -5.8755   -3.3234 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1071   -4.4953   -4.7638 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7628   -5.1027   -4.7376 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6154   -2.7826   -5.1846 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9572   -2.2073   -5.3715 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7152   -3.8196   -7.1983 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1538   -1.5033   -7.6163 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0852   -2.4230   -7.5636 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3387   -1.2171   -6.4970 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5267   -0.8708   -8.2103 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5764   -3.4625   -9.4933 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0384   -1.8280   -9.9037 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8468   -3.0675   -9.5056 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 26  1  0  0  0  0
  1 27  1  0  0  0  0
  1 28  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  9  2  0  0  0  0
  5  6  2  0  0  0  0
  5 29  1  0  0  0  0
  6  7  1  0  0  0  0
  6 30  1  0  0  0  0
  7  8  2  0  0  0  0
  7 19  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 31  1  0  0  0  0
 10 11  1  0  0  0  0
 10 18  2  0  0  0  0
 11 12  2  0  0  0  0
 11 32  1  0  0  0  0
 12 13  1  0  0  0  0
 12 16  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 14 33  1  0  0  0  0
 14 34  1  0  0  0  0
 14 35  1  0  0  0  0
 16 17  2  0  0  0  0
 16 36  1  0  0  0  0
 17 18  1  0  0  0  0
 17 37  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 38  1  0  0  0  0
 20 39  1  0  0  0  0
 21 22  1  0  0  0  0
 21 40  1  0  0  0  0
 21 41  1  0  0  0  0
 22 23  1  0  0  0  0
 22 42  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 23 43  1  0  0  0  0
 24 44  1  0  0  0  0
 24 45  1  0  0  0  0
 24 46  1  0  0  0  0
 25 47  1  0  0  0  0
 25 48  1  0  0  0  0
 25 49  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-08-27, 131👍, 0💬