
 CHEMBL1642484

 51 53  0  0  0  0  0  0  0  0999 V2000
    1.9433    1.8581    3.3221 C   0  0  0  0  0
    2.8757    1.6583    2.2088 N   0  0  0  0  0
    2.7108    2.7340    1.2281 C   0  0  0  0  0
    4.2578    1.5926    2.7326 C   0  0  0  0  0
    5.3655    1.3424    1.6923 C   0  0  0  0  0
    5.6488    2.5615    0.9988 O   0  0  0  0  0
    6.8539    2.6547    0.3685 C   0  0  0  0  0
    7.1955    3.9342   -0.0616 C   0  0  0  0  0
    8.4392    4.1816   -0.6558 C   0  0  0  0  0
    9.3751    3.1514   -0.8395 C   0  0  0  0  0
    8.9874    1.8608   -0.4444 C   0  0  0  0  0
    7.7397    1.6100    0.1420 C   0  0  0  0  0
   10.6981    3.4210   -1.3652 N   0  0  0  0  0
   11.2808    4.6831   -1.2320 C   0  0  0  0  0
   12.5239    4.9514   -1.6494 C   0  0  0  0  0
   13.3335    3.9265   -2.2496 C   0  0  0  0  0
   12.8179    2.7019   -2.4096 C   0  0  0  0  0
   11.4226    2.3918   -2.0032 C   0  0  0  0  0
   11.0223    1.2602   -2.2816 O   0  0  0  0  0
   14.5931    4.3569   -2.5867 O   0  0  0  0  0
   15.4848    3.4498   -3.2460 C   0  0  0  0  0
   15.1805    3.3357   -4.7208 C   0  0  0  0  0
   14.8312    2.1042   -5.2935 C   0  0  0  0  0
   14.5161    2.0179   -6.6503 C   0  0  0  0  0
   14.5669    3.1560   -7.4522 C   0  0  0  0  0
   14.9309    4.3818   -6.8987 C   0  0  0  0  0
   15.2332    4.4727   -5.5395 C   0  0  0  0  0
    2.0168    1.0324    4.0386 H   0  0  0  0  0
    0.9084    1.8684    2.9628 H   0  0  0  0  0
    2.1327    2.7968    3.8559 H   0  0  0  0  0
    1.6575    2.8439    0.9455 H   0  0  0  0  0
    3.2418    2.5010    0.2998 H   0  0  0  0  0
    3.0622    3.7000    1.6086 H   0  0  0  0  0
    4.3007    0.7566    3.4427 H   0  0  0  0  0
    4.4938    2.5101    3.2879 H   0  0  0  0  0
    5.0691    0.5626    0.9810 H   0  0  0  0  0
    6.2506    1.0078    2.2483 H   0  0  0  0  0
    6.4933    4.7527    0.0767 H   0  0  0  0  0
    8.6352    5.1953   -0.9905 H   0  0  0  0  0
    9.6597    1.0121   -0.5341 H   0  0  0  0  0
    7.5066    0.5875    0.4204 H   0  0  0  0  0
   10.7156    5.4611   -0.7321 H   0  0  0  0  0
   12.9544    5.9387   -1.5161 H   0  0  0  0  0
   13.3461    1.8672   -2.8420 H   0  0  0  0  0
   15.5093    2.4774   -2.7393 H   0  0  0  0  0
   16.4956    3.8622   -3.1398 H   0  0  0  0  0
   14.7852    1.2023   -4.6874 H   0  0  0  0  0
   14.2252    1.0627   -7.0804 H   0  0  0  0  0
   14.3196    3.0878   -8.5082 H   0  0  0  0  0
   14.9716    5.2697   -7.5240 H   0  0  0  0  0
   15.5017    5.4380   -5.1153 H   0  0  0  0  0
  1  2  1  0  0  0
  1 28  1  0  0  0
  1 29  1  0  0  0
  1 30  1  0  0  0
  2  4  1  0  0  0
  2  3  1  0  0  0
  3 31  1  0  0  0
  3 32  1  0  0  0
  3 33  1  0  0  0
  4  5  1  0  0  0
  4 34  1  0  0  0
  4 35  1  0  0  0
  5  6  1  0  0  0
  5 36  1  0  0  0
  5 37  1  0  0  0
  6  7  1  0  0  0
  7  8  2  0  0  0
  7 12  1  0  0  0
  8  9  1  0  0  0
  8 38  1  0  0  0
  9 10  2  0  0  0
  9 39  1  0  0  0
 10 11  1  0  0  0
 10 13  1  0  0  0
 11 12  2  0  0  0
 11 40  1  0  0  0
 12 41  1  0  0  0
 13 14  1  0  0  0
 13 18  1  0  0  0
 14 15  2  0  0  0
 14 42  1  0  0  0
 15 16  1  0  0  0
 15 43  1  0  0  0
 16 17  2  0  0  0
 16 20  1  0  0  0
 17 18  1  0  0  0
 17 44  1  0  0  0
 18 19  2  0  0  0
 20 21  1  0  0  0
 21 22  1  0  0  0
 21 45  1  0  0  0
 21 46  1  0  0  0
 22 23  2  0  0  0
 22 27  1  0  0  0
 23 24  1  0  0  0
 23 47  1  0  0  0
 24 25  2  0  0  0
 24 48  1  0  0  0
 25 26  1  0  0  0
 25 49  1  0  0  0
 26 27  2  0  0  0
 26 50  1  0  0  0
 27 51  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL1642484

>  <PubChem CID>
11559625

>  <Formula>
C22H24N2O3

>  <Molecular Weight>
364.445000

>  <IUPAC Name>
1-[4-[2-(dimethylamino)ethoxy]phenyl]-4-phenylmethoxypyridin-2-one

>  <XlogP>
3.1

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CN(C)CCOC1=CC=C(C=C1)N2C=CC(=CC2=O)OCC3=CC=CC=C3

>  <Isomeric SMILES>
CN(C)CCOC1=CC=C(C=C1)N2C=CC(=CC2=O)OCC3=CC=CC=C3

>  <InChI Std. ID>
InChI=1S/C22H24N2O3/c1-23(2)14-15-26-20-10-8-19(9-11-20)24-13-12-21(16-22(24)25)27-17-18-6-4-3-5-7-18/h3-13,16H,14-15,17H2,1-2H3

>  <InChI Key>
AITUVWNTUJSLMG-UHFFFAOYSA-N

