
 CHEMBL118760

 51 54  0  0  0  0  0  0  0  0999 V2000
    5.1872   -0.2155    2.0778 C   0  0  0  0  0
    4.5552    0.9442    1.3130 C   0  0  0  0  0
    3.1442    0.6260    0.8468 C   0  0  0  0  0
    2.1758    0.5684    1.9466 N   0  0  0  0  0
    2.0463   -0.7008    2.5623 C   0  0  0  0  0
    0.8275   -1.3913    2.5076 C   0  0  0  0  0
    0.6876   -2.6277    3.1383 C   0  0  0  0  0
    1.7674   -3.1892    3.8128 C   0  0  0  0  0
    2.9914   -2.5208    3.8499 C   0  0  0  0  0
    3.1528   -1.2746    3.2205 C   0  0  0  0  0
    4.4677   -0.5430    3.3849 C   0  0  0  0  0
    1.3704    1.6970    2.1686 C   0  0  0  0  0
    1.5420    2.7452    1.5384 O   0  0  0  0  0
    0.2486    1.7022    3.1540 C   0  0  0  0  0
    0.2605    1.0358    4.3811 C   0  0  0  0  0
   -0.8990    0.9916    5.1689 C   0  0  0  0  0
   -2.0631    1.6633    4.7729 C   0  0  0  0  0
   -2.0352    2.4229    3.6056 C   0  0  0  0  0
   -0.8914    2.4377    2.8021 C   0  0  0  0  0
   -3.2055    1.5186    5.5774 N   0  0  0  0  0
   -4.4435    2.0887    5.4049 C   0  0  0  0  0
   -4.7946    2.8501    4.5185 O   0  0  0  0  0
   -5.2607    1.6543    6.4476 O   0  0  0  0  0
   -6.4816    2.3216    6.6403 C   0  0  0  0  0
   -6.5315    3.7099    6.7712 C   0  0  0  0  0
   -7.7455    4.3268    7.0674 C   0  0  0  0  0
   -8.8939    3.5546    7.2482 C   0  0  0  0  0
   -8.8327    2.1642    7.1283 C   0  0  0  0  0
   -7.6208    1.5409    6.8290 C   0  0  0  0  0
    6.2216    0.0650    2.3117 H   0  0  0  0  0
    5.2388   -1.1044    1.4366 H   0  0  0  0  0
    5.1747    1.1548    0.4328 H   0  0  0  0  0
    4.5578    1.8501    1.9306 H   0  0  0  0  0
    3.1195   -0.3242    0.2963 H   0  0  0  0  0
    2.8301    1.3901    0.1260 H   0  0  0  0  0
   -0.0210   -0.9736    1.9712 H   0  0  0  0  0
   -0.2648   -3.1502    3.1046 H   0  0  0  0  0
    1.6582   -4.1477    4.3144 H   0  0  0  0  0
    3.8190   -2.9739    4.3926 H   0  0  0  0  0
    4.2974    0.3685    3.9719 H   0  0  0  0  0
    5.1483   -1.1599    3.9858 H   0  0  0  0  0
    1.1488    0.5176    4.7299 H   0  0  0  0  0
   -0.8765    0.4122    6.0890 H   0  0  0  0  0
   -2.8914    3.0009    3.2720 H   0  0  0  0  0
   -0.9038    3.0189    1.8811 H   0  0  0  0  0
   -3.1391    0.9247    6.3916 H   0  0  0  0  0
   -5.6378    4.3137    6.6447 H   0  0  0  0  0
   -7.7940    5.4081    7.1629 H   0  0  0  0  0
   -9.8373    4.0390    7.4874 H   0  0  0  0  0
   -9.7298    1.5687    7.2762 H   0  0  0  0  0
   -7.5691    0.4595    6.7484 H   0  0  0  0  0
  1  2  1  0  0  0
  1 11  1  0  0  0
  1 30  1  0  0  0
  1 31  1  0  0  0
  2  3  1  0  0  0
  2 32  1  0  0  0
  2 33  1  0  0  0
  3  4  1  0  0  0
  3 34  1  0  0  0
  3 35  1  0  0  0
  4  5  1  0  0  0
  4 12  1  0  0  0
  5 10  1  0  0  0
  5  6  2  0  0  0
  6  7  1  0  0  0
  6 36  1  0  0  0
  7  8  2  0  0  0
  7 37  1  0  0  0
  8  9  1  0  0  0
  8 38  1  0  0  0
  9 10  2  0  0  0
  9 39  1  0  0  0
 10 11  1  0  0  0
 11 40  1  0  0  0
 11 41  1  0  0  0
 12 14  1  0  0  0
 12 13  2  0  0  0
 14 15  2  0  0  0
 14 19  1  0  0  0
 15 16  1  0  0  0
 15 42  1  0  0  0
 16 17  2  0  0  0
 16 43  1  0  0  0
 17 18  1  0  0  0
 17 20  1  0  0  0
 18 19  2  0  0  0
 18 44  1  0  0  0
 19 45  1  0  0  0
 20 21  1  0  0  0
 20 46  1  0  0  0
 21 23  1  0  0  0
 21 22  2  0  0  0
 23 24  1  0  0  0
 24 25  2  0  0  0
 24 29  1  0  0  0
 25 26  1  0  0  0
 25 47  1  0  0  0
 26 27  2  0  0  0
 26 48  1  0  0  0
 27 28  1  0  0  0
 27 49  1  0  0  0
 28 29  2  0  0  0
 28 50  1  0  0  0
 29 51  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL118760

>  <PubChem CID>
10548205

>  <Formula>
C24H22N2O3

>  <Molecular Weight>
386.451000

>  <IUPAC Name>
phenyl N-[4-(2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)phenyl]carbamate

>  <XlogP>
4.8

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1CCN(C2=CC=CC=C2C1)C(=O)C3=CC=C(C=C3)NC(=O)OC4=CC=CC=C4

>  <Isomeric SMILES>
C1CCN(C2=CC=CC=C2C1)C(=O)C3=CC=C(C=C3)NC(=O)OC4=CC=CC=C4

>  <InChI Std. ID>
InChI=1S/C24H22N2O3/c27-23(26-17-7-6-9-18-8-4-5-12-22(18)26)19-13-15-20(16-14-19)25-24(28)29-21-10-2-1-3-11-21/h1-5,8,10-16H,6-7,9,17H2,(H,25,28)

>  <InChI Key>
GBGCTIRNIUTZOD-UHFFFAOYSA-N

