Molecule FYI-1005549

A

Molecule Summary:

ID: FYI-1005549
Names:
InChIKey: VICSUUIIFRCJPL-UHFFFAOYSA-N
SMILES: Cc3cc(=O)oc4cc(NC(c1ccccc1)c2ccccc2)c(C=O)cc34

Received at FYIcenter.com on: 2023-11-06

Molecule ID: FYI-1005549 Edit

Molecule Structure InChIKey: VICSUUIIFRCJPL-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc3cc(=O)oc4cc(NC(c1ccccc1)c2ccccc2)c(C=O)cc34

Download SDF Download SVG Structure in 2D SDF:

FYI-1005549
FYIcenter.com

 28 31  0  0  0  0  0  0  0  0999 V2000
    6.0622    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    2.1000    0.0000 N   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
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    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
    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  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  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  8  3  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  2  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 15  2  0  0  0  0
 16 11  1  0  0  0  0
 17 10  1  0  0  0  0
 18 17  2  0  0  0  0
 19 18  1  0  0  0  0
 20 19  2  0  0  0  0
 21 20  1  0  0  0  0
 22 21  2  0  0  0  0
 22 17  1  0  0  0  0
 23  6  1  0  0  0  0
 24 23  1  0  0  0  0
 25 24  2  0  0  0  0
 26 24  1  0  0  0  0
 27 26  2  0  0  0  0
 27  5  1  0  0  0  0
 28 27  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005549-3D
FYIcenter.com

 47 50  0  0  0  0  0  0  0  0999 V2000
   -0.4158   -2.4063   -2.7154 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2686   -0.9280   -2.9202 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0959   -0.2556   -3.7389 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9887    1.1886   -3.9936 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8030    1.7617   -4.7080 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0781    1.8457   -3.4074 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9300    1.1846   -2.4997 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9033    1.9803   -1.8811 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7380    1.4575   -0.8863 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7303    2.2310   -0.2724 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5944    3.6710   -0.0090 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8789    3.9531    1.3226 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3875    3.5325    2.5648 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7234    3.8443    3.7610 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5554    4.6017    3.7421 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0437    5.0435    2.5266 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6930    4.7133    1.3296 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9475    4.3889   -0.0972 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9711    5.7468   -0.4729 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1479    6.4953   -0.4018 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3310    5.8924    0.0136 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3460    4.5321    0.3135 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1645    3.7844    0.2596 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6120    0.0751   -0.6317 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4582   -0.6121    0.3889 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3043   -0.0381    1.0609 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6518   -0.7281   -1.2837 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7822   -0.1722   -2.2230 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2172   -2.8256   -3.3347 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6591   -2.6320   -1.6726 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5067   -2.9299   -2.9878 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9069   -0.7450   -4.2676 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9875    3.0117   -2.2096 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1604    1.7335    0.5135 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9925    4.1193   -0.8057 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3174    2.9705    2.6201 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1249    3.5007    4.7117 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0481    4.8519    4.6723 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1419    5.6505    2.5082 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2653    5.0725    0.3968 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0588    6.2398   -0.8025 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1346    7.5531   -0.6508 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2398    6.4816    0.1040 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2764    4.0545    0.6103 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2061    2.7285    0.5158 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2711   -1.6925    0.5250 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5836   -1.7838   -1.0342 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 29  1  0  0  0  0
  1 30  1  0  0  0  0
  1 31  1  0  0  0  0
  2  3  2  0  0  0  0
  2 28  1  0  0  0  0
  3  4  1  0  0  0  0
  3 32  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 28  2  0  0  0  0
  8  9  2  0  0  0  0
  8 33  1  0  0  0  0
  9 10  1  0  0  0  0
  9 24  1  0  0  0  0
 10 11  1  0  0  0  0
 10 34  1  0  0  0  0
 11 12  1  0  0  0  0
 11 18  1  0  0  0  0
 11 35  1  0  0  0  0
 12 13  1  0  0  0  0
 12 17  2  0  0  0  0
 13 14  2  0  0  0  0
 13 36  1  0  0  0  0
 14 15  1  0  0  0  0
 14 37  1  0  0  0  0
 15 16  2  0  0  0  0
 15 38  1  0  0  0  0
 16 17  1  0  0  0  0
 16 39  1  0  0  0  0
 17 40  1  0  0  0  0
 18 19  1  0  0  0  0
 18 23  2  0  0  0  0
 19 20  2  0  0  0  0
 19 41  1  0  0  0  0
 20 21  1  0  0  0  0
 20 42  1  0  0  0  0
 21 22  2  0  0  0  0
 21 43  1  0  0  0  0
 22 23  1  0  0  0  0
 22 44  1  0  0  0  0
 23 45  1  0  0  0  0
 24 25  1  0  0  0  0
 24 27  2  0  0  0  0
 25 26  2  0  0  0  0
 25 46  1  0  0  0  0
 27 28  1  0  0  0  0
 27 47  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-11-09, 885👍, 0💬