
 CHEMBL268274

 46 48  0  0  0  0  0  0  0  0999 V2000
    6.6649   -1.1493   -0.7746 C   0  0  0  0  0
    5.9644    0.1923   -0.9429 C   0  0  0  0  0
    4.9989    0.4630    0.2189 C   0  0  0  0  0
    4.2060    1.7065    0.1261 N   0  0  0  0  0
    3.2735    1.7133   -1.0192 C   0  0  0  0  0
    2.3169    0.5109   -1.0727 C   0  0  0  0  0
    1.2891    0.6705   -2.1842 C   0  0  0  0  0
    5.0268    2.9594    0.2368 C   0  0  0  0  0
    4.1595    4.2365    0.1885 C   0  0  0  0  0
    4.9290    5.4934    0.4882 C   0  0  0  0  0
    6.0455    5.4744    1.3309 C   0  0  0  0  0
    6.7237    6.6739    1.6306 C   0  0  0  0  0
    6.2992    7.8703    1.0452 C   0  0  0  0  0
    5.1733    7.8965    0.2272 C   0  0  0  0  0
    4.4863    6.7149   -0.0432 C   0  0  0  0  0
    7.9290    6.6897    2.3718 N   0  0  0  0  0
    7.9748    5.6007    3.3585 C   0  0  0  0  0
    7.5183    4.2396    2.8372 C   0  0  0  0  0
    7.9537    3.1981    3.3341 O   0  0  0  0  0
    6.5214    4.2530    1.8637 N   0  0  0  0  0
    5.8483    2.9978    1.5501 C   0  0  0  0  0
    7.3588   -1.3208   -1.6032 H   0  0  0  0  0
    5.9406   -1.9698   -0.7645 H   0  0  0  0  0
    7.2351   -1.1814    0.1596 H   0  0  0  0  0
    5.4299    0.1811   -1.8983 H   0  0  0  0  0
    6.7243    0.9792   -1.0010 H   0  0  0  0  0
    5.5553    0.4451    1.1628 H   0  0  0  0  0
    4.3188   -0.3896    0.3295 H   0  0  0  0  0
    3.8208    1.7989   -1.9659 H   0  0  0  0  0
    2.6233    2.5907   -0.9486 H   0  0  0  0  0
    1.7928    0.4104   -0.1143 H   0  0  0  0  0
    2.8639   -0.4216   -1.2516 H   0  0  0  0  0
    0.6929    1.5774   -2.0439 H   0  0  0  0  0
    0.6066   -0.1856   -2.1942 H   0  0  0  0  0
    1.7783    0.7270   -3.1622 H   0  0  0  0  0
    5.7289    3.0092   -0.6061 H   0  0  0  0  0
    3.3295    4.1644    0.9041 H   0  0  0  0  0
    3.7332    4.3455   -0.8167 H   0  0  0  0  0
    6.8394    8.7917    1.2486 H   0  0  0  0  0
    4.8337    8.8363   -0.2000 H   0  0  0  0  0
    3.6055    6.7498   -0.6812 H   0  0  0  0  0
    8.6966    6.5850    1.7070 H   0  0  0  0  0
    9.0073    5.5041    3.7119 H   0  0  0  0  0
    7.3475    5.8595    4.2207 H   0  0  0  0  0
    6.6237    2.2255    1.5170 H   0  0  0  0  0
    5.2029    2.7682    2.4082 H   0  0  0  0  0
  1  2  1  0  0  0
  1 22  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
  3 27  1  0  0  0
  3 28  1  0  0  0
  4  8  1  0  0  0
  4  5  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
  6 31  1  0  0  0
  6 32  1  0  0  0
  7 33  1  0  0  0
  7 34  1  0  0  0
  7 35  1  0  0  0
  8 21  1  0  0  0
  8  9  1  0  0  0
  8 36  1  0  0  0
  9 10  1  0  0  0
  9 37  1  0  0  0
  9 38  1  0  0  0
 10 15  1  0  0  0
 10 11  2  0  0  0
 11 20  1  0  0  0
 11 12  1  0  0  0
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 12 13  2  0  0  0
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 14 40  1  0  0  0
 15 41  1  0  0  0
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 17 18  1  0  0  0
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 20 21  1  0  0  0
 21 45  1  0  0  0
 21 46  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL268274

>  <PubChem CID>
15744960

>  <Formula>
C17H25N3O

>  <Molecular Weight>
287.407000

>  <IUPAC Name>


>  <XlogP>
3.0

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CCCN(CCC)C1CC2=C3C(=CC=C2)NCC(=O)N3C1

>  <Isomeric SMILES>
CCCN(CCC)C1CC2=C3C(=CC=C2)NCC(=O)N3C1

>  <InChI Std. ID>
InChI=1S/C17H25N3O/c1-3-8-19(9-4-2)14-10-13-6-5-7-15-17(13)20(12-14)16(21)11-18-15/h5-7,14,18H,3-4,8-12H2,1-2H3

>  <InChI Key>
AGDDFINMHZZBNF-UHFFFAOYSA-N

