
 CHEMBL329765

 43 46  0  0  0  0  0  0  0  0999 V2000
   -0.1992   -0.1126   -2.5195 C   0  0  0  0  0
   -0.6223   -0.1379   -1.0560 C   0  0  0  0  0
    0.6476    0.2754   -0.3255 C   0  0  0  0  0
    1.7284   -0.1856   -1.1825 N   0  0  0  0  0
    1.2267   -0.6409   -2.4671 C   0  0  0  0  0
    3.0763   -0.2393   -0.8764 C   0  0  0  0  0
    3.8850   -0.7237   -1.6712 O   0  0  0  0  0
    3.4844    0.2868    0.4954 C   0  0  0  0  0
    4.8389    0.9342    0.5181 C   0  0  0  0  0
    5.1332    2.2897    0.3751 C   0  0  0  0  0
    6.4927    2.4197    0.5604 N   0  0  0  0  0
    7.0836    1.2086    0.8150 C   0  0  0  0  0
    8.4229    0.8951    1.0769 C   0  0  0  0  0
    8.7453   -0.4502    1.2752 C   0  0  0  0  0
    7.7665   -1.4383    1.2079 C   0  0  0  0  0
    6.4310   -1.1025    0.9559 C   0  0  0  0  0
    6.0774    0.2494    0.7619 C   0  0  0  0  0
    4.2906    3.4530    0.0776 C   0  0  0  0  0
    3.3066    3.3907   -0.9168 C   0  0  0  0  0
    2.5135    4.5031   -1.2107 C   0  0  0  0  0
    2.7077    5.6993   -0.5241 C   0  0  0  0  0
    3.6904    5.7811    0.4593 C   0  0  0  0  0
    4.4736    4.6634    0.7621 C   0  0  0  0  0
   -0.8487   -0.7106   -3.1639 H   0  0  0  0  0
   -0.2038    0.9207   -2.8873 H   0  0  0  0  0
   -0.9053   -1.1581   -0.7699 H   0  0  0  0  0
   -1.4651    0.5247   -0.8414 H   0  0  0  0  0
    0.7211    1.3649   -0.2437 H   0  0  0  0  0
    0.7218   -0.1699    0.6710 H   0  0  0  0  0
    1.8483   -0.2724   -3.2885 H   0  0  0  0  0
    1.2469   -1.7364   -2.4666 H   0  0  0  0  0
    3.4624   -0.5646    1.1863 H   0  0  0  0  0
    2.7559    1.0101    0.8713 H   0  0  0  0  0
    6.9950    3.2927    0.4985 H   0  0  0  0  0
    9.1879    1.6627    1.1211 H   0  0  0  0  0
    9.7770   -0.7292    1.4755 H   0  0  0  0  0
    8.0390   -2.4810    1.3475 H   0  0  0  0  0
    5.6780   -1.8822    0.8939 H   0  0  0  0  0
    3.1636    2.4817   -1.4949 H   0  0  0  0  0
    1.7548    4.4368   -1.9861 H   0  0  0  0  0
    2.0989    6.5680   -0.7605 H   0  0  0  0  0
    3.8484    6.7152    0.9927 H   0  0  0  0  0
    5.2223    4.7486    1.5456 H   0  0  0  0  0
  1  5  1  0  0  0
  1  2  1  0  0  0
  1 24  1  0  0  0
  1 25  1  0  0  0
  2  3  1  0  0  0
  2 26  1  0  0  0
  2 27  1  0  0  0
  3  4  1  0  0  0
  3 28  1  0  0  0
  3 29  1  0  0  0
  4  5  1  0  0  0
  4  6  1  0  0  0
  5 30  1  0  0  0
  5 31  1  0  0  0
  6  8  1  0  0  0
  6  7  2  0  0  0
  8  9  1  0  0  0
  8 32  1  0  0  0
  8 33  1  0  0  0
  9 17  1  0  0  0
  9 10  2  0  0  0
 10 11  1  0  0  0
 10 18  1  0  0  0
 11 12  1  0  0  0
 11 34  1  0  0  0
 12 17  1  0  0  0
 12 13  2  0  0  0
 13 14  1  0  0  0
 13 35  1  0  0  0
 14 15  2  0  0  0
 14 36  1  0  0  0
 15 16  1  0  0  0
 15 37  1  0  0  0
 16 17  2  0  0  0
 16 38  1  0  0  0
 18 19  2  0  0  0
 18 23  1  0  0  0
 19 20  1  0  0  0
 19 39  1  0  0  0
 20 21  2  0  0  0
 20 40  1  0  0  0
 21 22  1  0  0  0
 21 41  1  0  0  0
 22 23  2  0  0  0
 22 42  1  0  0  0
 23 43  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL329765

>  <PubChem CID>
11722580

>  <Formula>
C20H20N2O

>  <Molecular Weight>
304.393000

>  <IUPAC Name>
2-(2-phenyl-1H-indol-3-yl)-1-pyrrolidin-1-ylethanone

>  <XlogP>
3.6

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
1

>  <Canonical SMILES>
C1CCN(C1)C(=O)CC2=C(NC3=CC=CC=C32)C4=CC=CC=C4

>  <Isomeric SMILES>
C1CCN(C1)C(=O)CC2=C(NC3=CC=CC=C32)C4=CC=CC=C4

>  <InChI Std. ID>
InChI=1S/C20H20N2O/c23-19(22-12-6-7-13-22)14-17-16-10-4-5-11-18(16)21-20(17)15-8-2-1-3-9-15/h1-5,8-11,21H,6-7,12-14H2

>  <InChI Key>
DKRADRFWWFBJKU-UHFFFAOYSA-N

