
 LE 300

 44 47  0  0  0  0  0  0  0  0999 V2000
    0.8352    0.2873    0.3009 C   0  0  0  0  0
    2.2628    0.5353    0.0591 N   0  0  0  0  0
    2.6791    1.7902    0.7164 C   0  0  0  0  0
    4.1606    1.8409    1.1765 C   0  0  0  0  0
    4.9180    3.0222    0.5994 C   0  0  0  0  0
    4.4193    4.2944    0.9818 C   0  0  0  0  0
    4.9859    5.4826    0.5325 C   0  0  0  0  0
    6.0843    5.4326   -0.3061 C   0  0  0  0  0
    6.6019    4.1952   -0.6856 C   0  0  0  0  0
    6.0385    2.9625   -0.2602 C   0  0  0  0  0
    6.8360    1.7450   -0.7182 C   0  0  0  0  0
    6.2233    0.3855   -0.8274 C   0  0  0  0  0
    4.9964   -0.0925   -1.2780 C   0  0  0  0  0
    3.9227    0.7401   -1.9157 C   0  0  0  0  0
    2.4891    0.5613   -1.4024 C   0  0  0  0  0
    4.9637   -1.4991   -0.9631 C   0  0  0  0  0
    3.9785   -2.5098   -0.9893 C   0  0  0  0  0
    4.3041   -3.8174   -0.6065 C   0  0  0  0  0
    5.6055   -4.1471   -0.2456 C   0  0  0  0  0
    6.6037   -3.1730   -0.2131 C   0  0  0  0  0
    6.2410   -1.8600   -0.5390 C   0  0  0  0  0
    6.9868   -0.7124   -0.5024 N   0  0  0  0  0
    0.6338    0.1906    1.3729 H   0  0  0  0  0
    0.5233   -0.6577   -0.1581 H   0  0  0  0  0
    0.2043    1.0897   -0.0995 H   0  0  0  0  0
    2.0918    1.9051    1.6390 H   0  0  0  0  0
    2.4007    2.6498    0.0924 H   0  0  0  0  0
    4.6704    0.8896    1.0512 H   0  0  0  0  0
    4.1684    1.9696    2.2695 H   0  0  0  0  0
    3.5617    4.3599    1.6520 H   0  0  0  0  0
    4.5734    6.4371    0.8436 H   0  0  0  0  0
    6.5480    6.3500   -0.6555 H   0  0  0  0  0
    7.4856    4.1936   -1.3246 H   0  0  0  0  0
    7.6960    1.6846   -0.0355 H   0  0  0  0  0
    7.2500    1.9597   -1.7140 H   0  0  0  0  0
    3.9287    0.5113   -2.9899 H   0  0  0  0  0
    4.1790    1.8019   -1.8568 H   0  0  0  0  0
    1.8752    1.3508   -1.8593 H   0  0  0  0  0
    2.1070   -0.3742   -1.8284 H   0  0  0  0  0
    2.9533   -2.2806   -1.2549 H   0  0  0  0  0
    3.5287   -4.5782   -0.5900 H   0  0  0  0  0
    5.8456   -5.1703    0.0312 H   0  0  0  0  0
    7.6169   -3.4245    0.0808 H   0  0  0  0  0
    7.9540   -0.6794   -0.2133 H   0  0  0  0  0
  1  2  1  0  0  0
  1 23  1  0  0  0
  1 24  1  0  0  0
  1 25  1  0  0  0
  2  3  1  0  0  0
  2 15  1  0  0  0
  3  4  1  0  0  0
  3 26  1  0  0  0
  3 27  1  0  0  0
  4  5  1  0  0  0
  4 28  1  0  0  0
  4 29  1  0  0  0
  5  6  2  0  0  0
  5 10  1  0  0  0
  6  7  1  0  0  0
  6 30  1  0  0  0
  7  8  2  0  0  0
  7 31  1  0  0  0
  8  9  1  0  0  0
  8 32  1  0  0  0
  9 10  2  0  0  0
  9 33  1  0  0  0
 10 11  1  0  0  0
 11 12  1  0  0  0
 11 34  1  0  0  0
 11 35  1  0  0  0
 12 13  2  0  0  0
 12 22  1  0  0  0
 13 16  1  0  0  0
 13 14  1  0  0  0
 14 15  1  0  0  0
 14 36  1  0  0  0
 14 37  1  0  0  0
 15 38  1  0  0  0
 15 39  1  0  0  0
 16 17  2  0  0  0
 16 21  1  0  0  0
 17 18  1  0  0  0
 17 40  1  0  0  0
 18 19  2  0  0  0
 18 41  1  0  0  0
 19 20  1  0  0  0
 19 42  1  0  0  0
 20 21  2  0  0  0
 20 43  1  0  0  0
 21 22  1  0  0  0
 22 44  1  0  0  0
M  END

>  <Chemical Name>
LE 300

>  <PubChem CID>
4350931

>  <Formula>
C20H22N2

>  <Molecular Weight>
290.410000

>  <IUPAC Name>


>  <XlogP>
4.3

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
1

>  <Canonical SMILES>
CN1CCC2=CC=CC=C2CC3=C(CC1)C4=CC=CC=C4N3

>  <Isomeric SMILES>
CN1CCC2=CC=CC=C2CC3=C(CC1)C4=CC=CC=C4N3

>  <InChI Std. ID>
InChI=1S/C20H22N2/c1-22-12-10-15-6-2-3-7-16(15)14-20-18(11-13-22)17-8-4-5-9-19(17)21-20/h2-9,21H,10-14H2,1H3

>  <InChI Key>
YEWGIGCYIAMFMA-UHFFFAOYSA-N

