
 CHEMBL3286635

 53 55  0  0  0  0  0  0  0  0999 V2000
    0.2868    3.4414    0.5986 C   0  0  0  0  0
    1.7049    3.4085    1.1496 C   0  0  0  0  0
    2.2939    2.0613    1.0364 N   0  0  0  0  0
    1.8414    1.0682    2.0370 C   0  0  0  0  0
    0.7980    0.1327    1.4429 C   0  0  0  0  0
    3.6939    2.0156    0.8715 C   0  0  0  0  0
    4.5689    2.9695    1.4048 C   0  0  0  0  0
    5.9554    2.8437    1.2515 C   0  0  0  0  0
    6.5094    1.7580    0.5597 C   0  0  0  0  0
    5.6445    0.8050    0.0123 C   0  0  0  0  0
    4.2575    0.9393    0.1686 C   0  0  0  0  0
    8.0015    1.6618    0.4911 C   0  0  0  0  0
    8.6975    2.4352    1.1433 O   0  0  0  0  0
    8.5546    0.6820   -0.3089 N   0  0  0  0  0
    9.9965    0.5177   -0.4111 C   0  0  0  0  0
   10.5778   -0.2892    0.7498 C   0  0  0  0  0
   12.0069   -0.5195    0.5831 N   0  0  0  0  0
   12.5756   -1.6074   -0.0524 C   0  0  0  0  0
   13.9428   -1.4098   -0.0442 C   0  0  0  0  0
   14.2156   -0.1991    0.6448 C   0  0  0  0  0
   15.4054    0.4854    0.9691 C   0  0  0  0  0
   15.3349    1.6813    1.6915 C   0  0  0  0  0
   14.1038    2.1987    2.0809 C   0  0  0  0  0
   12.9116    1.5434    1.7575 C   0  0  0  0  0
   12.9924    0.3385    1.0381 C   0  0  0  0  0
   11.8001   -2.7412   -0.6155 C   0  0  0  0  0
   -0.0881    4.4695    0.5892 H   0  0  0  0  0
   -0.3976    2.8499    1.2096 H   0  0  0  0  0
    0.2554    3.0574   -0.4253 H   0  0  0  0  0
    1.7114    3.7529    2.1922 H   0  0  0  0  0
    2.2833    4.1321    0.5595 H   0  0  0  0  0
    1.4268    1.5707    2.9213 H   0  0  0  0  0
    2.6734    0.4518    2.4082 H   0  0  0  0  0
   -0.1348    0.6554    1.2239 H   0  0  0  0  0
    0.5670   -0.6677    2.1521 H   0  0  0  0  0
    1.1525   -0.3229    0.5152 H   0  0  0  0  0
    4.1938    3.8122    1.9768 H   0  0  0  0  0
    6.6050    3.5986    1.6921 H   0  0  0  0  0
    6.0042   -0.0634   -0.5251 H   0  0  0  0  0
    3.6002    0.1888   -0.2662 H   0  0  0  0  0
    7.9726    0.0788   -0.8701 H   0  0  0  0  0
   10.4630    1.5079   -0.4627 H   0  0  0  0  0
   10.1889    0.0156   -1.3661 H   0  0  0  0  0
   10.0833   -1.2634    0.8332 H   0  0  0  0  0
   10.4200    0.2152    1.7091 H   0  0  0  0  0
   14.6774   -2.0780   -0.4770 H   0  0  0  0  0
   16.3696    0.0865    0.6678 H   0  0  0  0  0
   16.2495    2.2080    1.9504 H   0  0  0  0  0
   14.0639    3.1284    2.6440 H   0  0  0  0  0
   11.9565    1.9633    2.0629 H   0  0  0  0  0
   11.3051   -3.2999    0.1855 H   0  0  0  0  0
   12.4568   -3.4353   -1.1495 H   0  0  0  0  0
   11.0417   -2.3901   -1.3208 H   0  0  0  0  0
  1  2  1  0  0  0
  1 27  1  0  0  0
  1 28  1  0  0  0
  1 29  1  0  0  0
  2  3  1  0  0  0
  2 30  1  0  0  0
  2 31  1  0  0  0
  3  6  1  0  0  0
  3  4  1  0  0  0
  4  5  1  0  0  0
  4 32  1  0  0  0
  4 33  1  0  0  0
  5 34  1  0  0  0
  5 35  1  0  0  0
  5 36  1  0  0  0
  6  7  2  0  0  0
  6 11  1  0  0  0
  7  8  1  0  0  0
  7 37  1  0  0  0
  8  9  2  0  0  0
  8 38  1  0  0  0
  9 10  1  0  0  0
  9 12  1  0  0  0
 10 11  2  0  0  0
 10 39  1  0  0  0
 11 40  1  0  0  0
 12 14  1  0  0  0
 12 13  2  0  0  0
 14 15  1  0  0  0
 14 41  1  0  0  0
 15 16  1  0  0  0
 15 42  1  0  0  0
 15 43  1  0  0  0
 16 17  1  0  0  0
 16 44  1  0  0  0
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 17 25  1  0  0  0
 17 18  1  0  0  0
 18 19  2  0  0  0
 18 26  1  0  0  0
 19 20  1  0  0  0
 19 46  1  0  0  0
 20 25  1  0  0  0
 20 21  2  0  0  0
 21 22  1  0  0  0
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 22 23  2  0  0  0
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 23 24  1  0  0  0
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 26 53  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3286635

>  <PubChem CID>
90680535

>  <Formula>
C22H27N3O

>  <Molecular Weight>
349.478000

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

>  <XlogP>
4.2

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CCN(CC)C1=CC=C(C=C1)C(=O)NCCN2C(=CC3=CC=CC=C32)C

>  <Isomeric SMILES>
CCN(CC)C1=CC=C(C=C1)C(=O)NCCN2C(=CC3=CC=CC=C32)C

>  <InChI Std. ID>
InChI=1S/C22H27N3O/c1-4-24(5-2)20-12-10-18(11-13-20)22(26)23-14-15-25-17(3)16-19-8-6-7-9-21(19)25/h6-13,16H,4-5,14-15H2,1-3H3,(H,23,26)

>  <InChI Key>
AZACIONLWCBJFF-UHFFFAOYSA-N

