
 CHEMBL3612469

 44 46  0  0  0  0  0  0  0  0999 V2000
    2.4806    0.8436    3.7335 C   0  0  0  0  0
    3.3482    0.4946    2.5553 C   0  0  0  0  0
    3.6512   -0.6634    2.2877 O   0  0  0  0  0
    3.8171    1.5840    1.8706 N   0  0  0  0  0
    4.6412    1.4444    0.6846 C   0  0  0  0  0
    5.3291    2.7776    0.3005 C   0  0  0  0  0
    6.3982    3.0954    1.3550 C   0  0  0  0  0
    6.9840    4.4686    1.1109 C   0  0  0  0  0
    5.8705    5.4704    1.1795 C   0  0  0  0  0
    6.1233    6.7452    1.7166 C   0  0  0  0  0
    5.1103    7.6955    1.7941 C   0  0  0  0  0
    3.8422    7.3808    1.3264 C   0  0  0  0  0
    3.5956    6.1193    0.7782 C   0  0  0  0  0
    4.5985    5.1373    0.6791 C   0  0  0  0  0
    4.3083    3.8660    0.1407 N   0  0  0  0  0
    3.6943    3.9309   -1.2113 C   0  0  0  0  0
    2.4535    3.0695   -1.3285 C   0  0  0  0  0
    2.3999    2.0229   -2.2634 C   0  0  0  0  0
    1.2400    1.2600   -2.4139 C   0  0  0  0  0
    0.1133    1.5429   -1.6431 C   0  0  0  0  0
    0.1495    2.5793   -0.7151 C   0  0  0  0  0
    1.3124    3.3320   -0.5539 C   0  0  0  0  0
    3.1172    1.0296    4.6031 H   0  0  0  0  0
    1.8043    0.0127    3.9490 H   0  0  0  0  0
    1.8777    1.7334    3.5273 H   0  0  0  0  0
    3.3626    2.4864    1.9792 H   0  0  0  0  0
    3.9930    1.0836   -0.1181 H   0  0  0  0  0
    5.3892    0.6622    0.8613 H   0  0  0  0  0
    5.8517    2.6295   -0.6546 H   0  0  0  0  0
    7.1956    2.3426    1.3159 H   0  0  0  0  0
    5.9756    3.0556    2.3682 H   0  0  0  0  0
    7.4682    4.5265    0.1288 H   0  0  0  0  0
    7.7434    4.6773    1.8735 H   0  0  0  0  0
    7.1130    6.9955    2.0889 H   0  0  0  0  0
    5.3080    8.6732    2.2227 H   0  0  0  0  0
    3.0393    8.1114    1.3891 H   0  0  0  0  0
    2.5874    5.9114    0.4381 H   0  0  0  0  0
    4.4323    3.6250   -1.9639 H   0  0  0  0  0
    3.4121    4.9489   -1.5118 H   0  0  0  0  0
    3.2638    1.7901   -2.8812 H   0  0  0  0  0
    1.2130    0.4460   -3.1338 H   0  0  0  0  0
   -0.7927    0.9538   -1.7671 H   0  0  0  0  0
   -0.7279    2.8035   -0.1170 H   0  0  0  0  0
    1.3201    4.1316    0.1782 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>
CHEMBL3612469

>  <PubChem CID>
122188237

>  <Formula>
C19H22N2O

>  <Molecular Weight>
294.398000

>  <IUPAC Name>
N-[[(2R)-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-/m1/s1

>  <InChI Key>
CGEJOVUHOJQGJO-GOSISDBHSA-N

