
 CHEMBL333201

 50 53  0  0  0  0  0  0  0  0999 V2000
    2.5535    0.5173   -1.7780 C   0  0  0  0  0
    2.3009    1.9380   -1.2812 C   0  0  0  0  0
    0.8897    2.1279   -0.7451 C   0  0  0  0  0
    0.6565    1.4365    0.5298 N   0  0  0  0  0
    0.2301    0.0884    0.4014 C   0  0  0  0  0
   -1.0310   -0.2989    0.8773 C   0  0  0  0  0
   -1.4527   -1.6238    0.7662 C   0  0  0  0  0
   -0.6252   -2.5686    0.1684 C   0  0  0  0  0
    0.6233   -2.1896   -0.3246 C   0  0  0  0  0
    1.0662   -0.8594   -0.2226 C   0  0  0  0  0
    2.4729   -0.5293   -0.6701 C   0  0  0  0  0
    0.6162    2.2121    1.7023 C   0  0  0  0  0
    0.8160    3.4308    1.6809 O   0  0  0  0  0
    0.3501    1.6168    3.0496 C   0  0  0  0  0
   -0.2907    2.4277    3.9986 C   0  0  0  0  0
   -0.6184    1.9302    5.2656 C   0  0  0  0  0
   -0.3265    0.6062    5.6068 C   0  0  0  0  0
    0.3705   -0.1802    4.6868 C   0  0  0  0  0
    0.7308    0.3287    3.4297 C   0  0  0  0  0
   -0.7565    0.1483    6.8725 N   0  0  0  0  0
   -0.7304   -1.1576    7.3324 C   0  0  0  0  0
   -0.3663   -2.1430    6.6979 O   0  0  0  0  0
   -1.2496   -1.3705    8.7157 C   0  0  0  0  0
   -1.8415   -2.6064    9.0147 C   0  0  0  0  0
   -2.3178   -2.8700   10.2996 C   0  0  0  0  0
   -2.2003   -1.9026   11.2956 C   0  0  0  0  0
   -1.6042   -0.6735   11.0096 C   0  0  0  0  0
   -1.1247   -0.4054    9.7236 C   0  0  0  0  0
    3.5614    0.4887   -2.2104 H   0  0  0  0  0
    1.8560    0.2718   -2.5887 H   0  0  0  0  0
    2.4500    2.6257   -2.1225 H   0  0  0  0  0
    3.0380    2.2057   -0.5149 H   0  0  0  0  0
    0.1459    1.7876   -1.4783 H   0  0  0  0  0
    0.7080    3.2015   -0.6212 H   0  0  0  0  0
   -1.6992    0.4281    1.3311 H   0  0  0  0  0
   -2.4254   -1.9186    1.1512 H   0  0  0  0  0
   -0.9460   -3.6046    0.0938 H   0  0  0  0  0
    1.2610   -2.9493   -0.7723 H   0  0  0  0  0
    3.0623   -0.2187    0.2019 H   0  0  0  0  0
    2.9558   -1.4416   -1.0437 H   0  0  0  0  0
   -0.5458    3.4569    3.7502 H   0  0  0  0  0
   -1.1229    2.5912    5.9654 H   0  0  0  0  0
    0.6553   -1.2032    4.9142 H   0  0  0  0  0
    1.2962   -0.3135    2.7611 H   0  0  0  0  0
   -1.2327    0.8312    7.4474 H   0  0  0  0  0
   -1.9268   -3.3711    8.2446 H   0  0  0  0  0
   -2.7703   -3.8331   10.5233 H   0  0  0  0  0
   -2.5619   -2.1122   12.2998 H   0  0  0  0  0
   -1.4985    0.0697   11.7966 H   0  0  0  0  0
   -0.6258    0.5417    9.5410 H   0  0  0  0  0
  1  2  1  0  0  0
  1 11  1  0  0  0
  1 29  1  0  0  0
  1 30  1  0  0  0
  2  3  1  0  0  0
  2 31  1  0  0  0
  2 32  1  0  0  0
  3  4  1  0  0  0
  3 33  1  0  0  0
  3 34  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 35  1  0  0  0
  7  8  2  0  0  0
  7 36  1  0  0  0
  8  9  1  0  0  0
  8 37  1  0  0  0
  9 10  2  0  0  0
  9 38  1  0  0  0
 10 11  1  0  0  0
 11 39  1  0  0  0
 11 40  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 41  1  0  0  0
 16 17  2  0  0  0
 16 42  1  0  0  0
 17 18  1  0  0  0
 17 20  1  0  0  0
 18 19  2  0  0  0
 18 43  1  0  0  0
 19 44  1  0  0  0
 20 21  1  0  0  0
 20 45  1  0  0  0
 21 23  1  0  0  0
 21 22  2  0  0  0
 23 24  2  0  0  0
 23 28  1  0  0  0
 24 25  1  0  0  0
 24 46  1  0  0  0
 25 26  2  0  0  0
 25 47  1  0  0  0
 26 27  1  0  0  0
 26 48  1  0  0  0
 27 28  2  0  0  0
 27 49  1  0  0  0
 28 50  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL333201

>  <PubChem CID>
10595343

>  <Formula>
C24H22N2O2

>  <Molecular Weight>
370.452000

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

>  <XlogP>
4.5

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

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

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

>  <InChI Std. ID>
InChI=1S/C24H22N2O2/c27-23(19-10-2-1-3-11-19)25-21-15-13-20(14-16-21)24(28)26-17-7-6-9-18-8-4-5-12-22(18)26/h1-5,8,10-16H,6-7,9,17H2,(H,25,27)

>  <InChI Key>
BZOPIROJWLJILD-UHFFFAOYSA-N

