
 CHEMBL273452

 56 59  0  0  0  0  0  0  0  0999 V2000
    2.0380    2.7806    4.0863 C   0  0  0  0  0
    1.6819    4.2702    4.0632 C   0  0  0  0  0
    2.1381    4.9213    5.3739 C   0  0  0  0  0
    2.2181    5.0414    2.8245 C   0  0  0  0  0
    1.5537    4.5700    1.5178 C   0  0  0  0  0
    2.1098    5.3134    0.2966 C   0  0  0  0  0
    3.5760    5.2473    0.1688 N   0  0  0  0  0
    4.2009    5.7441    1.4043 C   0  0  0  0  0
    3.7491    5.0133    2.6741 C   0  0  0  0  0
    4.0239    3.9039   -0.2322 C   0  0  0  0  0
    5.5234    3.7859   -0.5510 C   0  0  0  0  0
    6.0525    4.7634   -1.6056 C   0  0  0  0  0
    5.4202    4.5592   -2.9817 C   0  0  0  0  0
    6.0547    5.3747   -3.9944 N   0  0  0  0  0
    5.6720    6.6679   -4.3520 C   0  0  0  0  0
    4.6510    7.4924   -3.9045 C   0  0  0  0  0
    4.5608    8.7563   -4.5256 C   0  0  0  0  0
    5.4598    9.1632   -5.5378 C   0  0  0  0  0
    6.4916    8.3009   -5.9564 C   0  0  0  0  0
    6.5419    7.0893   -5.3324 C   0  0  0  0  0
    7.4653    6.0916   -5.5802 C   0  0  0  0  0
    8.4525    6.2948   -6.5425 C   0  0  0  0  0
    8.4369    7.5329   -7.2154 C   0  0  0  0  0
    7.4760    8.5278   -6.9358 C   0  0  0  0  0
    7.1957    4.9529   -4.7217 C   0  0  0  0  0
    7.7655    3.8759   -4.6040 O   0  0  0  0  0
    1.6543    2.2595    3.2050 H   0  0  0  0  0
    1.5934    2.2961    4.9631 H   0  0  0  0  0
    3.1188    2.6191    4.1392 H   0  0  0  0  0
    0.5857    4.3398    4.0415 H   0  0  0  0  0
    3.2220    4.8524    5.5082 H   0  0  0  0  0
    1.6680    4.4288    6.2324 H   0  0  0  0  0
    1.8542    5.9784    5.4039 H   0  0  0  0  0
    1.9291    6.0946    2.9582 H   0  0  0  0  0
    0.4717    4.7406    1.5758 H   0  0  0  0  0
    1.6908    3.4931    1.3770 H   0  0  0  0  0
    1.6329    4.9334   -0.6153 H   0  0  0  0  0
    1.8144    6.3692    0.3586 H   0  0  0  0  0
    5.2932    5.7182    1.3321 H   0  0  0  0  0
    3.9559    6.8100    1.5067 H   0  0  0  0  0
    4.1202    3.9834    2.6519 H   0  0  0  0  0
    4.2197    5.4984    3.5366 H   0  0  0  0  0
    3.4704    3.6021   -1.1303 H   0  0  0  0  0
    3.7824    3.1559    0.5318 H   0  0  0  0  0
    5.7193    2.7607   -0.8910 H   0  0  0  0  0
    6.1086    3.9072    0.3680 H   0  0  0  0  0
    7.1381    4.6214   -1.6843 H   0  0  0  0  0
    5.9075    5.7988   -1.2760 H   0  0  0  0  0
    4.3482    4.7812   -2.9675 H   0  0  0  0  0
    5.5299    3.5092   -3.2793 H   0  0  0  0  0
    3.9635    7.1852   -3.1254 H   0  0  0  0  0
    3.7729    9.4398   -4.2137 H   0  0  0  0  0
    5.3508   10.1463   -5.9886 H   0  0  0  0  0
    9.1897    5.5287   -6.7544 H   0  0  0  0  0
    9.1924    7.7273   -7.9760 H   0  0  0  0  0
    7.5024    9.4680   -7.4804 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  4  1  0  0  0
  2  3  1  0  0  0
  2 30  1  0  0  0
  3 31  1  0  0  0
  3 32  1  0  0  0
  3 33  1  0  0  0
  4  9  1  0  0  0
  4  5  1  0  0  0
  4 34  1  0  0  0
  5  6  1  0  0  0
  5 35  1  0  0  0
  5 36  1  0  0  0
  6  7  1  0  0  0
  6 37  1  0  0  0
  6 38  1  0  0  0
  7  8  1  0  0  0
  7 10  1  0  0  0
  8  9  1  0  0  0
  8 39  1  0  0  0
  8 40  1  0  0  0
  9 41  1  0  0  0
  9 42  1  0  0  0
 10 11  1  0  0  0
 10 43  1  0  0  0
 10 44  1  0  0  0
 11 12  1  0  0  0
 11 45  1  0  0  0
 11 46  1  0  0  0
 12 13  1  0  0  0
 12 47  1  0  0  0
 12 48  1  0  0  0
 13 14  1  0  0  0
 13 49  1  0  0  0
 13 50  1  0  0  0
 14 15  1  0  0  0
 14 25  1  0  0  0
 15 16  2  0  0  0
 15 20  1  0  0  0
 16 17  1  0  0  0
 16 51  1  0  0  0
 17 18  2  0  0  0
 17 52  1  0  0  0
 18 19  1  0  0  0
 18 53  1  0  0  0
 19 24  1  0  0  0
 19 20  2  0  0  0
 20 21  1  0  0  0
 21 22  2  0  0  0
 21 25  1  0  0  0
 22 23  1  0  0  0
 22 54  1  0  0  0
 23 24  2  0  0  0
 23 55  1  0  0  0
 24 56  1  0  0  0
 25 26  2  0  0  0
M  END

>  <Chemical Name>
CHEMBL273452

>  <PubChem CID>
11382534

>  <Formula>
C23H30N2O

>  <Molecular Weight>
350.506000

>  <IUPAC Name>
1-[4-(4-propan-2-ylpiperidin-1-yl)butyl]benzo[cd]indol-2-one

>  <XlogP>
5.1

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CC(C)C1CCN(CC1)CCCCN2C3=CC=CC4=C3C(=CC=C4)C2=O

>  <Isomeric SMILES>
CC(C)C1CCN(CC1)CCCCN2C3=CC=CC4=C3C(=CC=C4)C2=O

>  <InChI Std. ID>
InChI=1S/C23H30N2O/c1-17(2)18-11-15-24(16-12-18)13-3-4-14-25-21-10-6-8-19-7-5-9-20(22(19)21)23(25)26/h5-10,17-18H,3-4,11-16H2,1-2H3

>  <InChI Key>
DFEGJCFQOIKENM-UHFFFAOYSA-N

