Molecule FYI-1005567

A

Molecule Summary:

ID: FYI-1005567
Names:
InChIKey: AUDDTOOAJOMLPW-UHFFFAOYSA-N
SMILES: Cc3cc(=O)oc4cc(Nc1ccccc1C(=O)c2ccccc2)c(Br)cc34

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

Molecule ID: FYI-1005567 Edit

Molecule Structure InChIKey: AUDDTOOAJOMLPW-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc3cc(=O)oc4cc(Nc1ccccc1C(=O)c2ccccc2)c(Br)cc34

Download SDF Download SVG Structure in 2D SDF:

FYI-1005567
FYIcenter.com

 28 31  0  0  0  0  0  0  0  0999 V2000
    4.8498    8.3999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    9.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   10.4999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498   11.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498   12.5999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   13.2999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   12.5999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   11.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    8.3999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    9.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.3999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.9999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    6.2999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.9999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.2999    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.8999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.8999    0.0000 Br  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  2  1  0  0  0  0
 10  9  2  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
 14  9  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  2  0  0  0  0
 22 20  1  0  0  0  0
 23 22  2  0  0  0  0
 24 23  1  0  0  0  0
 25 23  1  0  0  0  0
 25 18  2  0  0  0  0
 26 25  1  0  0  0  0
 27 26  2  0  0  0  0
 27 16  1  0  0  0  0
 28 27  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005567-3D
FYIcenter.com

 44 47  0  0  0  0  0  0  0  0999 V2000
    1.5977    0.1077    3.2617 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9196    0.1043    2.5548 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6318    1.2335    2.4114 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9144    1.2970    1.6921 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5632    2.3354    1.6525 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3180    0.1453    1.0462 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6326   -1.0681    1.2444 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2297   -2.1953    0.6841 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7097   -3.4768    0.9091 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4364   -4.6068    0.4777 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8410   -4.7796    0.4147 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6720   -4.0337    1.2754 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0593   -4.0406    1.1518 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6585   -4.8335    0.1850 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8694   -5.6280   -0.6460 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4630   -5.5853   -0.5627 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6521   -6.4074   -1.5084 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5925   -6.8989   -1.1210 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1047   -6.6574   -2.9094 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8129   -5.6900   -3.6378 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2129   -5.9482   -4.9507 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8927   -7.1632   -5.5538 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1746   -8.1236   -4.8423 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7788   -7.8749   -3.5261 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5393   -3.5669    1.6810 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7986   -5.2568    2.1414 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.9131   -2.4148    2.2041 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4660   -1.1437    2.0005 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3471    1.1039    3.6455 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6021   -0.5745    4.1166 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7969   -0.1846    2.5741 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2999    2.1817    2.8149 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1297   -2.0669    0.0881 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8966   -5.4309    0.2004 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2310   -3.4284    2.0658 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6614   -3.4232    1.8131 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7410   -4.8374    0.0813 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3688   -6.2715   -1.3659 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0547   -4.7249   -3.1994 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7670   -5.1958   -5.5076 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1938   -7.3586   -6.5800 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9188   -9.0698   -5.3123 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2185   -8.6305   -2.9787 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0142   -2.5334    2.8053 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 25  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 16  2  0  0  0  0
 12 13  2  0  0  0  0
 12 35  1  0  0  0  0
 13 14  1  0  0  0  0
 13 36  1  0  0  0  0
 14 15  2  0  0  0  0
 14 37  1  0  0  0  0
 15 16  1  0  0  0  0
 15 38  1  0  0  0  0
 16 17  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 24  2  0  0  0  0
 20 21  2  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
 22 23  2  0  0  0  0
 22 41  1  0  0  0  0
 23 24  1  0  0  0  0
 23 42  1  0  0  0  0
 24 43  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  2  0  0  0  0
 27 28  1  0  0  0  0
 27 44  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-11-13, 2229👍, 0💬