
 Vilazodone

 60 64  0  0  0  0  0  0  0  0999 V2000
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   -1.8970    1.6658   -1.0704 C   0  0  0  0  0
   -1.6231    1.2533   -2.4718 N   0  0  0  0  0
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    0.4057    0.9543   -0.3328 N   0  0  0  0  0
    1.6266    1.3061    0.4089 C   0  0  0  0  0
    1.3728    1.3948    1.9191 C   0  0  0  0  0
    2.6518    1.7048    2.7026 C   0  0  0  0  0
    2.4116    1.7891    4.2156 C   0  0  0  0  0
    1.5033    2.9130    4.6153 C   0  0  0  0  0
    1.8609    4.2379    4.7692 C   0  0  0  0  0
    0.7451    4.9501    5.1180 N   0  0  0  0  0
   -0.3472    4.1180    5.1955 C   0  0  0  0  0
    0.0986    2.8303    4.8959 C   0  0  0  0  0
   -0.8388    1.7756    4.9043 C   0  0  0  0  0
   -2.1822    2.0454    5.2097 C   0  0  0  0  0
   -2.5920    3.3486    5.5034 C   0  0  0  0  0
   -1.6810    4.4097    5.5033 C   0  0  0  0  0
   -3.1361    0.9774    5.2163 C   0  0  0  0  0
   -3.9154    0.1135    5.2219 N   0  0  0  0  0
   -2.7957    0.9885   -3.2228 C   0  0  0  0  0
   -2.9395   -0.1606   -4.0311 C   0  0  0  0  0
   -4.1378   -0.4065   -4.7326 C   0  0  0  0  0
   -5.1651    0.5171   -4.6326 C   0  0  0  0  0
   -5.0778    1.6882   -3.8965 C   0  0  0  0  0
   -3.8699    1.9048   -3.2129 C   0  0  0  0  0
   -6.2446    0.1110   -5.3552 O   0  0  0  0  0
   -5.9121   -1.0884   -5.9358 C   0  0  0  0  0
   -4.6217   -1.4329   -5.5828 C   0  0  0  0  0
   -6.8783   -1.7695   -6.7636 C   0  0  0  0  0
   -6.6765   -2.8323   -7.3440 O   0  0  0  0  0
   -8.0893   -1.1466   -6.8728 N   0  0  0  0  0
   -0.1839    2.9555   -0.7345 H   0  0  0  0  0
   -0.9044    2.2596    0.7199 H   0  0  0  0  0
   -2.5382    2.5521   -1.0290 H   0  0  0  0  0
   -2.4114    0.8529   -0.5412 H   0  0  0  0  0
   -0.8812   -0.7181   -2.1751 H   0  0  0  0  0
   -0.2189    0.1258   -3.6005 H   0  0  0  0  0
    1.4469   -0.1446   -1.8114 H   0  0  0  0  0
    1.1737    1.5530   -2.2243 H   0  0  0  0  0
    2.0544    2.2465    0.0395 H   0  0  0  0  0
    2.3794    0.5240    0.2453 H   0  0  0  0  0
    0.9434    0.4511    2.2778 H   0  0  0  0  0
    0.6441    2.1838    2.1199 H   0  0  0  0  0
    3.0840    2.6462    2.3413 H   0  0  0  0  0
    3.3921    0.9186    2.5109 H   0  0  0  0  0
    3.3779    1.9256    4.7172 H   0  0  0  0  0
    2.0112    0.8356    4.5802 H   0  0  0  0  0
    2.8157    4.7339    4.6535 H   0  0  0  0  0
    0.7213    5.9462    5.2896 H   0  0  0  0  0
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   -3.6361    3.5519    5.7400 H   0  0  0  0  0
   -2.0035    5.4202    5.7314 H   0  0  0  0  0
   -2.1533   -0.9004   -4.1192 H   0  0  0  0  0
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   -3.7805    2.8415   -2.6683 H   0  0  0  0  0
   -4.1048   -2.3278   -5.8997 H   0  0  0  0  0
   -8.2696   -0.2782   -6.3852 H   0  0  0  0  0
   -8.8115   -1.5813   -7.4280 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  1  0  0  0
  1 34  1  0  0  0
  1 35  1  0  0  0
  2  3  1  0  0  0
  2 36  1  0  0  0
  2 37  1  0  0  0
  3  4  1  0  0  0
  3 22  1  0  0  0
  4  5  1  0  0  0
  4 38  1  0  0  0
  4 39  1  0  0  0
  5  6  1  0  0  0
  5 40  1  0  0  0
  5 41  1  0  0  0
  6  7  1  0  0  0
  7  8  1  0  0  0
  7 42  1  0  0  0
  7 43  1  0  0  0
  8  9  1  0  0  0
  8 44  1  0  0  0
  8 45  1  0  0  0
  9 10  1  0  0  0
  9 46  1  0  0  0
  9 47  1  0  0  0
 10 11  1  0  0  0
 10 48  1  0  0  0
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 11 15  1  0  0  0
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 31 32  2  0  0  0
 33 59  1  0  0  0
 33 60  1  0  0  0
M  END

>  <Chemical Name>
Vilazodone

>  <PubChem CID>
6918314

>  <Formula>
C26H27N5O2

>  <Molecular Weight>
441.535000

>  <IUPAC Name>
5-[4-[4-(5-cyano-1H-indol-3-yl)butyl]piperazin-1-yl]-1-benzofuran-2-carboxamide

>  <XlogP>
4.0

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1CN(CCN1CCCCC2=CNC3=C2C=C(C=C3)C#N)C4=CC5=C(C=C4)OC(=C5)C(=O)N

>  <Isomeric SMILES>
C1CN(CCN1CCCCC2=CNC3=C2C=C(C=C3)C#N)C4=CC5=C(C=C4)OC(=C5)C(=O)N

>  <InChI Std. ID>
InChI=1S/C26H27N5O2/c27-16-18-4-6-23-22(13-18)19(17-29-23)3-1-2-8-30-9-11-31(12-10-30)21-5-7-24-20(14-21)15-25(33-24)26(28)32/h4-7,13-15,17,29H,1-3,8-12H2,(H2,28,32)

>  <InChI Key>
SGEGOXDYSFKCPT-UHFFFAOYSA-N

