
 CHEMBL361299

 35 37  0  0  0  0  0  0  0  0999 V2000
    3.4173   -1.0199    0.3689 C   0  0  0  0  0
    2.4238   -0.0143   -0.2036 C   0  0  0  0  0
    2.9013    1.3740   -0.1316 N   0  0  0  0  0
    1.8318    2.3059   -0.5169 C   0  0  0  0  0
    2.2597    3.7620   -0.2767 C   0  0  0  0  0
    3.6306    4.0630   -0.8266 C   0  0  0  0  0
    4.4566    3.0509   -1.1673 C   0  0  0  0  0
    4.0902    1.5966   -0.9723 C   0  0  0  0  0
    5.8241    3.3076   -1.7499 C   0  0  0  0  0
    5.9179    4.6432   -2.4891 C   0  0  0  0  0
    5.2143    5.7558   -1.7566 C   0  0  0  0  0
    5.6433    7.0817   -1.9230 C   0  0  0  0  0
    4.9702    8.1228   -1.2897 C   0  0  0  0  0
    3.8610    7.8490   -0.4972 C   0  0  0  0  0
    3.4185    6.5321   -0.3399 C   0  0  0  0  0
    4.0820    5.4682   -0.9687 C   0  0  0  0  0
    2.9589   -2.0135    0.4108 H   0  0  0  0  0
    3.7154   -0.7454    1.3862 H   0  0  0  0  0
    4.3173   -1.0999   -0.2482 H   0  0  0  0  0
    1.5028   -0.1055    0.3860 H   0  0  0  0  0
    2.1710   -0.2933   -1.2343 H   0  0  0  0  0
    0.9306    2.1201    0.0807 H   0  0  0  0  0
    1.5537    2.1649   -1.5705 H   0  0  0  0  0
    2.2539    3.9670    0.8017 H   0  0  0  0  0
    1.5095    4.4118   -0.7440 H   0  0  0  0  0
    3.9504    1.1497   -1.9657 H   0  0  0  0  0
    4.9456    1.0997   -0.4993 H   0  0  0  0  0
    6.0970    2.5086   -2.4499 H   0  0  0  0  0
    6.5559    3.2794   -0.9323 H   0  0  0  0  0
    6.9757    4.8899   -2.6394 H   0  0  0  0  0
    5.4600    4.5490   -3.4823 H   0  0  0  0  0
    6.5038    7.3053   -2.5489 H   0  0  0  0  0
    5.3102    9.1480   -1.4164 H   0  0  0  0  0
    3.3350    8.6591    0.0014 H   0  0  0  0  0
    2.5526    6.3573    0.2931 H   0  0  0  0  0
  1  2  1  0  0  0
  1 17  1  0  0  0
  1 18  1  0  0  0
  1 19  1  0  0  0
  2  3  1  0  0  0
  2 20  1  0  0  0
  2 21  1  0  0  0
  3  4  1  0  0  0
  3  8  1  0  0  0
  4  5  1  0  0  0
  4 22  1  0  0  0
  4 23  1  0  0  0
  5  6  1  0  0  0
  5 24  1  0  0  0
  5 25  1  0  0  0
  6  7  2  0  0  0
  6 16  1  0  0  0
  7  8  1  0  0  0
  7  9  1  0  0  0
  8 26  1  0  0  0
  8 27  1  0  0  0
  9 10  1  0  0  0
  9 28  1  0  0  0
  9 29  1  0  0  0
 10 11  1  0  0  0
 10 30  1  0  0  0
 10 31  1  0  0  0
 11 16  1  0  0  0
 11 12  2  0  0  0
 12 13  1  0  0  0
 12 32  1  0  0  0
 13 14  2  0  0  0
 13 33  1  0  0  0
 14 15  1  0  0  0
 14 34  1  0  0  0
 15 16  2  0  0  0
 15 35  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL361299

>  <PubChem CID>
44396186

>  <Formula>
C15H19N

>  <Molecular Weight>
213.324000

>  <IUPAC Name>
3-ethyl-2,4,5,6-tetrahydro-1H-benzo[f]isoquinoline

>  <XlogP>
2.3

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
1

>  <Canonical SMILES>
CCN1CCC2=C(C1)CCC3=CC=CC=C32

>  <Isomeric SMILES>
CCN1CCC2=C(C1)CCC3=CC=CC=C32

>  <InChI Std. ID>
InChI=1S/C15H19N/c1-2-16-10-9-15-13(11-16)8-7-12-5-3-4-6-14(12)15/h3-6H,2,7-11H2,1H3

>  <InChI Key>
BACAWWGUGDPTSS-UHFFFAOYSA-N

