
 CHEMBL3612468

 44 46  0  0  0  0  0  0  0  0999 V2000
    2.4925    0.0944    3.1414 C   0  0  0  0  0
    3.3341   -0.0107    1.8992 C   0  0  0  0  0
    3.5581   -1.0880    1.3550 O   0  0  0  0  0
    3.8418    1.1840    1.4494 N   0  0  0  0  0
    4.6727    1.2357    0.2602 C   0  0  0  0  0
    5.3183    2.6246    0.0236 C   0  0  0  0  0
    6.2889    2.9383    1.1694 C   0  0  0  0  0
    6.8306    4.3473    1.0286 C   0  0  0  0  0
    5.6798    5.3128    1.0219 C   0  0  0  0  0
    5.8652    6.6042    1.5460 C   0  0  0  0  0
    4.8218    7.5239    1.5458 C   0  0  0  0  0
    3.5891    7.1581    1.0230 C   0  0  0  0  0
    3.4105    5.8812    0.4807 C   0  0  0  0  0
    4.4526    4.9377    0.4418 C   0  0  0  0  0
    4.2755    3.6746   -0.1430 N   0  0  0  0  0
    3.5101    3.6347   -1.4142 C   0  0  0  0  0
    4.0407    4.5047   -2.5462 C   0  0  0  0  0
    3.1303    5.0427   -3.4724 C   0  0  0  0  0
    3.5733    5.7923   -4.5662 C   0  0  0  0  0
    4.9347    6.0088   -4.7594 C   0  0  0  0  0
    5.8521    5.4781   -3.8587 C   0  0  0  0  0
    5.4079    4.7298   -2.7658 C   0  0  0  0  0
    2.4714    1.1154    3.5325 H   0  0  0  0  0
    2.9174   -0.5586    3.9093 H   0  0  0  0  0
    1.4714   -0.2201    2.9136 H   0  0  0  0  0
    3.4413    2.0604    1.7650 H   0  0  0  0  0
    4.0415    0.9395   -0.5836 H   0  0  0  0  0
    5.4527    0.4703    0.3533 H   0  0  0  0  0
    5.9039    2.5505   -0.9001 H   0  0  0  0  0
    7.1179    2.2207    1.1646 H   0  0  0  0  0
    5.7899    2.8410    2.1425 H   0  0  0  0  0
    7.4055    4.4583    0.1021 H   0  0  0  0  0
    7.5035    4.5569    1.8681 H   0  0  0  0  0
    6.8285    6.8950    1.9579 H   0  0  0  0  0
    4.9694    8.5196    1.9543 H   0  0  0  0  0
    2.7631    7.8642    1.0279 H   0  0  0  0  0
    2.4272    5.6363    0.0916 H   0  0  0  0  0
    2.4641    3.8908   -1.2054 H   0  0  0  0  0
    3.4749    2.6108   -1.8031 H   0  0  0  0  0
    2.0618    4.8800   -3.3494 H   0  0  0  0  0
    2.8546    6.2045   -5.2696 H   0  0  0  0  0
    5.2813    6.5901   -5.6094 H   0  0  0  0  0
    6.9163    5.6453   -4.0019 H   0  0  0  0  0
    6.1529    4.3403   -2.0816 H   0  0  0  0  0
  1  2  1  0  0  0
  1 23  1  0  0  0
  1 24  1  0  0  0
  1 25  1  0  0  0
  2  4  1  0  0  0
  2  3  2  0  0  0
  4  5  1  0  0  0
  4 26  1  0  0  0
  5  6  1  0  0  0
  5 27  1  0  0  0
  5 28  1  0  0  0
  6  7  1  0  0  0
  6 15  1  0  0  0
  6 29  1  0  0  0
  7  8  1  0  0  0
  7 30  1  0  0  0
  7 31  1  0  0  0
  8  9  1  0  0  0
  8 32  1  0  0  0
  8 33  1  0  0  0
  9 10  2  0  0  0
  9 14  1  0  0  0
 10 11  1  0  0  0
 10 34  1  0  0  0
 11 12  2  0  0  0
 11 35  1  0  0  0
 12 13  1  0  0  0
 12 36  1  0  0  0
 13 14  2  0  0  0
 13 37  1  0  0  0
 14 15  1  0  0  0
 15 16  1  0  0  0
 16 17  1  0  0  0
 16 38  1  0  0  0
 16 39  1  0  0  0
 17 18  2  0  0  0
 17 22  1  0  0  0
 18 19  1  0  0  0
 18 40  1  0  0  0
 19 20  2  0  0  0
 19 41  1  0  0  0
 20 21  1  0  0  0
 20 42  1  0  0  0
 21 22  2  0  0  0
 21 43  1  0  0  0
 22 44  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3612468

>  <PubChem CID>
122188236

>  <Formula>
C19H22N2O

>  <Molecular Weight>
294.398000

>  <IUPAC Name>
N-[(1-benzyl-3,4-dihydro-2H-quinolin-2-yl)methyl]acetamide

>  <XlogP>
3.3

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CC(=O)NCC1CCC2=CC=CC=C2N1CC3=CC=CC=C3

>  <Isomeric SMILES>
CC(=O)NCC1CCC2=CC=CC=C2N1CC3=CC=CC=C3

>  <InChI Std. ID>
InChI=1S/C19H22N2O/c1-15(22)20-13-18-12-11-17-9-5-6-10-19(17)21(18)14-16-7-3-2-4-8-16/h2-10,18H,11-14H2,1H3,(H,20,22)

>  <InChI Key>
CGEJOVUHOJQGJO-UHFFFAOYSA-N

