
 CHEMBL3286634

 47 49  0  0  0  0  0  0  0  0999 V2000
    0.7976   -1.8665    1.5555 C   0  0  0  0  0
    0.6012   -2.8190    0.4298 C   0  0  0  0  0
   -0.4983   -3.6066    0.1506 C   0  0  0  0  0
   -0.2334   -4.3440   -1.0311 C   0  0  0  0  0
   -0.9738   -5.2827   -1.7771 C   0  0  0  0  0
   -0.4127   -5.8475   -2.9266 C   0  0  0  0  0
    0.8638   -5.4825   -3.3403 C   0  0  0  0  0
    1.6090   -4.5406   -2.6248 C   0  0  0  0  0
    1.0442   -3.9846   -1.4639 C   0  0  0  0  0
    1.5332   -3.0504   -0.5640 N   0  0  0  0  0
    2.8251   -2.3827   -0.6895 C   0  0  0  0  0
    3.9355   -3.0511    0.1230 C   0  0  0  0  0
    4.2349   -4.4077   -0.2969 N   0  0  0  0  0
    5.0576   -4.6823   -1.3683 C   0  0  0  0  0
    5.6571   -3.8147   -1.9931 O   0  0  0  0  0
    5.1986   -6.1180   -1.7361 C   0  0  0  0  0
    4.1736   -7.0407   -1.5321 C   0  0  0  0  0
    4.3570   -8.3882   -1.8737 C   0  0  0  0  0
    5.5501   -8.8655   -2.4447 C   0  0  0  0  0
    6.5590   -7.9065   -2.6518 C   0  0  0  0  0
    6.3894   -6.5538   -2.3148 C   0  0  0  0  0
    5.7436  -10.2186   -2.7480 N   0  0  0  0  0
    4.6395  -11.1593   -2.5675 C   0  0  0  0  0
    6.6931  -10.5626   -3.8065 C   0  0  0  0  0
    1.7454   -2.0485    2.0695 H   0  0  0  0  0
   -0.0025   -1.9727    2.2962 H   0  0  0  0  0
    0.7843   -0.8342    1.1929 H   0  0  0  0  0
   -1.4083   -3.6442    0.7357 H   0  0  0  0  0
   -1.9751   -5.5639   -1.4645 H   0  0  0  0  0
   -0.9826   -6.5715   -3.5032 H   0  0  0  0  0
    1.2889   -5.9282   -4.2369 H   0  0  0  0  0
    2.5990   -4.2576   -2.9690 H   0  0  0  0  0
    2.6886   -1.3475   -0.3559 H   0  0  0  0  0
    3.0825   -2.3369   -1.7526 H   0  0  0  0  0
    3.6690   -3.1053    1.1833 H   0  0  0  0  0
    4.8500   -2.4534    0.0392 H   0  0  0  0  0
    3.7584   -5.1598    0.1813 H   0  0  0  0  0
    3.2097   -6.7379   -1.1321 H   0  0  0  0  0
    3.5198   -9.0542   -1.6870 H   0  0  0  0  0
    7.5219   -8.1908   -3.0656 H   0  0  0  0  0
    7.2010   -5.8511   -2.4926 H   0  0  0  0  0
    3.8167  -10.9383   -3.2564 H   0  0  0  0  0
    4.2705  -11.1457   -1.5359 H   0  0  0  0  0
    4.9650  -12.1886   -2.7556 H   0  0  0  0  0
    6.4190  -10.0807   -4.7514 H   0  0  0  0  0
    6.7140  -11.6443   -3.9822 H   0  0  0  0  0
    7.7164  -10.2848   -3.5344 H   0  0  0  0  0
  1  2  1  0  0  0
  1 25  1  0  0  0
  1 26  1  0  0  0
  1 27  1  0  0  0
  2 10  1  0  0  0
  2  3  2  0  0  0
  3  4  1  0  0  0
  3 28  1  0  0  0
  4  9  1  0  0  0
  4  5  2  0  0  0
  5  6  1  0  0  0
  5 29  1  0  0  0
  6  7  2  0  0  0
  6 30  1  0  0  0
  7  8  1  0  0  0
  7 31  1  0  0  0
  8  9  2  0  0  0
  8 32  1  0  0  0
  9 10  1  0  0  0
 10 11  1  0  0  0
 11 12  1  0  0  0
 11 33  1  0  0  0
 11 34  1  0  0  0
 12 13  1  0  0  0
 12 35  1  0  0  0
 12 36  1  0  0  0
 13 14  1  0  0  0
 13 37  1  0  0  0
 14 16  1  0  0  0
 14 15  2  0  0  0
 16 17  2  0  0  0
 16 21  1  0  0  0
 17 18  1  0  0  0
 17 38  1  0  0  0
 18 19  2  0  0  0
 18 39  1  0  0  0
 19 20  1  0  0  0
 19 22  1  0  0  0
 20 21  2  0  0  0
 20 40  1  0  0  0
 21 41  1  0  0  0
 22 24  1  0  0  0
 22 23  1  0  0  0
 23 42  1  0  0  0
 23 43  1  0  0  0
 23 44  1  0  0  0
 24 45  1  0  0  0
 24 46  1  0  0  0
 24 47  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3286634

>  <PubChem CID>
71144290

>  <Formula>
C20H23N3O

>  <Molecular Weight>
321.424000

>  <IUPAC Name>
4-(dimethylamino)-N-[2-(2-methylindol-1-yl)ethyl]benzamide

>  <XlogP>
3.4

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CC1=CC2=CC=CC=C2N1CCNC(=O)C3=CC=C(C=C3)N(C)C

>  <Isomeric SMILES>
CC1=CC2=CC=CC=C2N1CCNC(=O)C3=CC=C(C=C3)N(C)C

>  <InChI Std. ID>
InChI=1S/C20H23N3O/c1-15-14-17-6-4-5-7-19(17)23(15)13-12-21-20(24)16-8-10-18(11-9-16)22(2)3/h4-11,14H,12-13H2,1-3H3,(H,21,24)

>  <InChI Key>
DAJGGXWRCFSEMN-UHFFFAOYSA-N

