
 CHEMBL3612470

 44 46  0  0  0  0  0  0  0  0999 V2000
    3.5604    0.9295    4.1451 C   0  0  0  0  0
    4.1132    0.7387    2.7589 C   0  0  0  0  0
    4.3903   -0.3727    2.3186 O   0  0  0  0  0
    4.3148    1.9025    2.0611 N   0  0  0  0  0
    4.8618    1.9055    0.7135 C   0  0  0  0  0
    5.5271    3.2527    0.3481 C   0  0  0  0  0
    6.7443    3.5116    1.2484 C   0  0  0  0  0
    7.2122    4.9476    1.0937 C   0  0  0  0  0
    6.0804    5.8384    1.5214 C   0  0  0  0  0
    6.3357    6.9972    2.2702 C   0  0  0  0  0
    5.2830    7.8024    2.6965 C   0  0  0  0  0
    3.9771    7.4581    2.3682 C   0  0  0  0  0
    3.7269    6.3183    1.5982 C   0  0  0  0  0
    4.7699    5.4937    1.1472 C   0  0  0  0  0
    4.5117    4.3441    0.3968 N   0  0  0  0  0
    3.6261    4.5036   -0.7802 C   0  0  0  0  0
    4.3765    4.4842   -2.1002 C   0  0  0  0  0
    4.3356    3.3465   -2.9233 C   0  0  0  0  0
    5.0795    3.2952   -4.1033 C   0  0  0  0  0
    5.8603    4.3851   -4.4828 C   0  0  0  0  0
    5.8991    5.5263   -3.6837 C   0  0  0  0  0
    5.1635    5.5767   -2.4968 C   0  0  0  0  0
    4.3361    0.6756    4.8731 H   0  0  0  0  0
    2.6987    0.2706    4.2816 H   0  0  0  0  0
    3.2406    1.9604    4.3184 H   0  0  0  0  0
    3.9341    2.7821    2.3932 H   0  0  0  0  0
    4.0271    1.6894    0.0372 H   0  0  0  0  0
    5.5836    1.0869    0.6155 H   0  0  0  0  0
    5.9266    3.1564   -0.6662 H   0  0  0  0  0
    7.5537    2.8221    0.9800 H   0  0  0  0  0
    6.5052    3.3206    2.3027 H   0  0  0  0  0
    7.4853    5.1705    0.0555 H   0  0  0  0  0
    8.0973    5.1111    1.7182 H   0  0  0  0  0
    7.3552    7.2634    2.5391 H   0  0  0  0  0
    5.4813    8.6879    3.2936 H   0  0  0  0  0
    3.1488    8.0692    2.7168 H   0  0  0  0  0
    2.6933    6.0603    1.3838 H   0  0  0  0  0
    3.0375    5.4292   -0.7520 H   0  0  0  0  0
    2.8852    3.6949   -0.7661 H   0  0  0  0  0
    3.7424    2.4812   -2.6354 H   0  0  0  0  0
    5.0553    2.4019   -4.7222 H   0  0  0  0  0
    6.4422    4.3424   -5.4002 H   0  0  0  0  0
    6.5103    6.3751   -3.9799 H   0  0  0  0  0
    5.2196    6.4644   -1.8692 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>
CHEMBL3612470

>  <PubChem CID>
122188238

>  <Formula>
C19H22N2O

>  <Molecular Weight>
294.398000

>  <IUPAC Name>
N-[[(2S)-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)NC[C@@H]1CCC2=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)/t18-/m0/s1

>  <InChI Key>
CGEJOVUHOJQGJO-SFHVURJKSA-N

