
 CHEMBL441040

 40 42  0  0  0  0  0  0  0  0999 V2000
    0.5923    1.1070   -0.6138 C   0  0  0  0  0
   -0.8649    1.1657   -0.1871 C   0  0  0  0  0
   -1.4822   -0.0876   -0.4646 O   0  0  0  0  0
   -0.8722   -1.1672    0.2488 C   0  0  0  0  0
    0.6779   -1.1650    0.3540 C   0  0  0  0  0
    1.2880   -2.1597    0.7495 O   0  0  0  0  0
    1.3118    0.0364    0.0628 N   0  0  0  0  0
    2.7559    0.1574    0.2112 C   0  0  0  0  0
    3.1149    0.8811    1.4877 C   0  0  0  0  0
    3.2062    0.1738    2.6956 C   0  0  0  0  0
    3.5146    0.8364    3.8845 C   0  0  0  0  0
    3.7230    2.2142    3.8813 C   0  0  0  0  0
    3.6254    2.9301    2.6896 C   0  0  0  0  0
    3.3245    2.2676    1.4981 C   0  0  0  0  0
   -1.4309   -1.2779    1.6816 C   0  0  0  0  0
   -2.9152   -1.5586    1.7330 C   0  0  0  0  0
   -3.3927   -2.8754    1.6978 C   0  0  0  0  0
   -4.7642   -3.1309    1.7511 C   0  0  0  0  0
   -5.6697   -2.0746    1.8351 C   0  0  0  0  0
   -5.2055   -0.7612    1.8616 C   0  0  0  0  0
   -3.8351   -0.5038    1.8090 C   0  0  0  0  0
    0.6661    0.9018   -1.6879 H   0  0  0  0  0
    1.0747    2.0662   -0.4053 H   0  0  0  0  0
   -1.3928    1.9345   -0.7599 H   0  0  0  0  0
   -0.9668    1.4134    0.8747 H   0  0  0  0  0
   -1.1329   -2.0730   -0.3126 H   0  0  0  0  0
    3.1597    0.6829   -0.6627 H   0  0  0  0  0
    3.2259   -0.8332    0.2144 H   0  0  0  0  0
    3.0353   -0.9019    2.7121 H   0  0  0  0  0
    3.5894    0.2765    4.8132 H   0  0  0  0  0
    3.9600    2.7298    4.8084 H   0  0  0  0  0
    3.7839    4.0055    2.6891 H   0  0  0  0  0
    3.2535    2.8423    0.5780 H   0  0  0  0  0
   -1.2265   -0.3601    2.2469 H   0  0  0  0  0
   -0.9110   -2.0734    2.2321 H   0  0  0  0  0
   -2.6992   -3.7109    1.6330 H   0  0  0  0  0
   -5.1263   -4.1552    1.7274 H   0  0  0  0  0
   -6.7369   -2.2746    1.8770 H   0  0  0  0  0
   -5.9101    0.0637    1.9213 H   0  0  0  0  0
   -3.4881    0.5265    1.8236 H   0  0  0  0  0
  1  7  1  0  0  0
  1  2  1  0  0  0
  1 22  1  0  0  0
  1 23  1  0  0  0
  2  3  1  0  0  0
  2 24  1  0  0  0
  2 25  1  0  0  0
  3  4  1  0  0  0
  4  5  1  0  0  0
  4 15  1  0  0  0
  4 26  1  0  0  0
  5  7  1  0  0  0
  5  6  2  0  0  0
  7  8  1  0  0  0
  8  9  1  0  0  0
  8 27  1  0  0  0
  8 28  1  0  0  0
  9 10  2  0  0  0
  9 14  1  0  0  0
 10 11  1  0  0  0
 10 29  1  0  0  0
 11 12  2  0  0  0
 11 30  1  0  0  0
 12 13  1  0  0  0
 12 31  1  0  0  0
 13 14  2  0  0  0
 13 32  1  0  0  0
 14 33  1  0  0  0
 15 16  1  0  0  0
 15 34  1  0  0  0
 15 35  1  0  0  0
 16 17  2  0  0  0
 16 21  1  0  0  0
 17 18  1  0  0  0
 17 36  1  0  0  0
 18 19  2  0  0  0
 18 37  1  0  0  0
 19 20  1  0  0  0
 19 38  1  0  0  0
 20 21  2  0  0  0
 20 39  1  0  0  0
 21 40  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL441040

>  <PubChem CID>
10468932

>  <Formula>
C18H19NO2

>  <Molecular Weight>
281.355000

>  <IUPAC Name>
2,4-dibenzylmorpholin-3-one

>  <XlogP>
2.9

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
C1COC(C(=O)N1CC2=CC=CC=C2)CC3=CC=CC=C3

>  <Isomeric SMILES>
C1COC(C(=O)N1CC2=CC=CC=C2)CC3=CC=CC=C3

>  <InChI Std. ID>
InChI=1S/C18H19NO2/c20-18-17(13-15-7-3-1-4-8-15)21-12-11-19(18)14-16-9-5-2-6-10-16/h1-10,17H,11-14H2

>  <InChI Key>
WNYDUBIOYBARFF-UHFFFAOYSA-N

