
 ST041961

 41 43  0  0  0  0  0  0  0  0999 V2000
   -0.1661    1.4442    1.1813 C   0  0  0  0  0
   -1.6326    1.0988    0.8795 C   0  0  0  0  0
   -1.8184    0.8054   -0.5158 O   0  0  0  0  0
   -1.0084   -0.3203   -0.8931 C   0  0  0  0  0
    0.4867   -0.0645   -0.6360 C   0  0  0  0  0
    0.6994    0.3138    0.7831 N   0  0  0  0  0
    2.0596    0.3830    1.1228 C   0  0  0  0  0
    2.7365    1.5763    1.3994 C   0  0  0  0  0
    4.1023    1.5828    1.7182 C   0  0  0  0  0
    4.8327    0.3926    1.7713 C   0  0  0  0  0
    4.1588   -0.8080    1.5318 C   0  0  0  0  0
    2.7973   -0.8072    1.2050 C   0  0  0  0  0
    6.2574    0.4471    2.1274 C   0  0  0  0  0
    7.1750   -0.4164    1.6675 C   0  0  0  0  0
    8.6012   -0.2724    2.0659 C   0  0  0  0  0
    9.0357    0.7513    2.5836 O   0  0  0  0  0
    9.5095   -1.4108    1.7640 C   0  0  0  0  0
    9.0671   -2.7407    1.7858 C   0  0  0  0  0
    9.9543   -3.7777    1.4912 C   0  0  0  0  0
   11.2849   -3.4931    1.1839 C   0  0  0  0  0
   11.7347   -2.1736    1.1804 C   0  0  0  0  0
   10.8516   -1.1334    1.4761 C   0  0  0  0  0
    0.1044    2.3433    0.6141 H   0  0  0  0  0
   -0.0609    1.6492    2.2529 H   0  0  0  0  0
   -2.2737    1.9507    1.1267 H   0  0  0  0  0
   -1.9694    0.2406    1.4733 H   0  0  0  0  0
   -1.3544   -1.2048   -0.3451 H   0  0  0  0  0
   -1.1738   -0.5031   -1.9597 H   0  0  0  0  0
    1.0439   -0.9700   -0.9020 H   0  0  0  0  0
    0.8309    0.7540   -1.2817 H   0  0  0  0  0
    2.2276    2.5337    1.3528 H   0  0  0  0  0
    4.5890    2.5365    1.9121 H   0  0  0  0  0
    4.6698   -1.7634    1.6087 H   0  0  0  0  0
    2.2979   -1.7590    1.0389 H   0  0  0  0  0
    6.5565    1.2602    2.7875 H   0  0  0  0  0
    6.9195   -1.2132    0.9804 H   0  0  0  0  0
    8.0436   -2.9906    2.0514 H   0  0  0  0  0
    9.6114   -4.8095    1.5096 H   0  0  0  0  0
   11.9748   -4.3023    0.9565 H   0  0  0  0  0
   12.7745   -1.9531    0.9511 H   0  0  0  0  0
   11.2100   -0.1054    1.4771 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  1  0  0  0
  1 23  1  0  0  0
  1 24  1  0  0  0
  2  3  1  0  0  0
  2 25  1  0  0  0
  2 26  1  0  0  0
  3  4  1  0  0  0
  4  5  1  0  0  0
  4 27  1  0  0  0
  4 28  1  0  0  0
  5  6  1  0  0  0
  5 29  1  0  0  0
  5 30  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 31  1  0  0  0
  9 10  2  0  0  0
  9 32  1  0  0  0
 10 11  1  0  0  0
 10 13  1  0  0  0
 11 12  2  0  0  0
 11 33  1  0  0  0
 12 34  1  0  0  0
 13 14  2  0  0  0
 13 35  1  0  0  0
 14 15  1  0  0  0
 14 36  1  0  0  0
 15 17  1  0  0  0
 15 16  2  0  0  0
 17 18  2  0  0  0
 17 22  1  0  0  0
 18 19  1  0  0  0
 18 37  1  0  0  0
 19 20  2  0  0  0
 19 38  1  0  0  0
 20 21  1  0  0  0
 20 39  1  0  0  0
 21 22  2  0  0  0
 21 40  1  0  0  0
 22 41  1  0  0  0
M  END

>  <Chemical Name>
ST041961

>  <PubChem CID>
5349489

>  <Formula>
C19H19NO2

>  <Molecular Weight>
293.366000

>  <IUPAC Name>
(E)-3-(4-morpholin-4-ylphenyl)-1-phenylprop-2-en-1-one

>  <XlogP>
2.800

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1COCCN1C2=CC=C(C=C2)C=CC(=O)C3=CC=CC=C3

>  <Isomeric SMILES>
C1COCCN1C2=CC=C(C=C2)/C=C/C(=O)C3=CC=CC=C3

>  <InChI Std. ID>
InChI=1S/C19H19NO2/c21-19(17-4-2-1-3-5-17)11-8-16-6-9-18(10-7-16)20-12-14-22-15-13-20/h1-11H,12-15H2/b11-8+

>  <InChI Key>
GLOZWQPXJZJOHF-DHZHZOJOSA-N

