
 CHEMBL396560

 48 51  0  0  0  0  0  0  0  0999 V2000
    1.0552    0.3154    0.7855 C   0  0  0  0  0
    2.4134    0.7221    0.4029 N   0  0  0  0  0
    2.7478    2.0109    1.0404 C   0  0  0  0  0
    4.2444    2.2083    1.3862 C   0  0  0  0  0
    4.9344    3.2589    0.5421 C   0  0  0  0  0
    4.4210    4.5738    0.6185 C   0  0  0  0  0
    4.9691    5.6202   -0.1192 C   0  0  0  0  0
    6.0501    5.3755   -0.9503 C   0  0  0  0  0
    6.5877    4.0910   -1.0235 C   0  0  0  0  0
    6.0534    3.0112   -0.2817 C   0  0  0  0  0
    6.8419    1.7141   -0.3271 C   0  0  0  0  0
    6.1525    0.3995   -0.5475 C   0  0  0  0  0
    4.9513   -0.0084   -1.1200 C   0  0  0  0  0
    3.8921    0.8664   -1.7250 C   0  0  0  0  0
    2.5003    0.7657   -1.0736 C   0  0  0  0  0
    4.8958   -1.4461   -1.0078 C   0  0  0  0  0
    6.0626   -1.8630   -0.3764 C   0  0  0  0  0
    6.8000   -0.7392   -0.1194 N   0  0  0  0  0
    6.3459   -3.2028   -0.0932 C   0  0  0  0  0
    5.3873   -4.1525   -0.4526 C   0  0  0  0  0
    4.1940   -3.7806   -1.0687 C   0  0  0  0  0
    3.9517   -2.4345   -1.3741 C   0  0  0  0  0
    3.3420   -4.8192   -1.3412 O   0  0  0  0  0
    1.9809   -4.4673   -1.5586 C   0  0  0  0  0
    0.9760    0.2005    1.8723 H   0  0  0  0  0
    0.8073   -0.6627    0.3579 H   0  0  0  0  0
    0.3013    1.0396    0.4556 H   0  0  0  0  0
    2.2341    2.0506    2.0122 H   0  0  0  0  0
    2.3283    2.8451    0.4636 H   0  0  0  0  0
    4.7726    1.2543    1.4082 H   0  0  0  0  0
    4.3095    2.5593    2.4268 H   0  0  0  0  0
    3.5797    4.7924    1.2743 H   0  0  0  0  0
    4.5546    6.6221   -0.0367 H   0  0  0  0  0
    6.4909    6.1856   -1.5252 H   0  0  0  0  0
    7.4585    3.9395   -1.6587 H   0  0  0  0  0
    7.4076    1.6682    0.6135 H   0  0  0  0  0
    7.5988    1.7851   -1.1210 H   0  0  0  0  0
    3.7941    0.5895   -2.7838 H   0  0  0  0  0
    4.2033    1.9120   -1.7398 H   0  0  0  0  0
    1.8729    1.5773   -1.4677 H   0  0  0  0  0
    2.0470   -0.1545   -1.4636 H   0  0  0  0  0
    7.6992   -0.7502    0.3400 H   0  0  0  0  0
    7.2659   -3.5001    0.3981 H   0  0  0  0  0
    5.5704   -5.2021   -0.2334 H   0  0  0  0  0
    3.0479   -2.1287   -1.8826 H   0  0  0  0  0
    1.3944   -5.3908   -1.5603 H   0  0  0  0  0
    1.8539   -3.9896   -2.5346 H   0  0  0  0  0
    1.5958   -3.8315   -0.7539 H   0  0  0  0  0
  1  2  1  0  0  0
  1 25  1  0  0  0
  1 26  1  0  0  0
  1 27  1  0  0  0
  2  3  1  0  0  0
  2 15  1  0  0  0
  3  4  1  0  0  0
  3 28  1  0  0  0
  3 29  1  0  0  0
  4  5  1  0  0  0
  4 30  1  0  0  0
  4 31  1  0  0  0
  5  6  2  0  0  0
  5 10  1  0  0  0
  6  7  1  0  0  0
  6 32  1  0  0  0
  7  8  2  0  0  0
  7 33  1  0  0  0
  8  9  1  0  0  0
  8 34  1  0  0  0
  9 10  2  0  0  0
  9 35  1  0  0  0
 10 11  1  0  0  0
 11 12  1  0  0  0
 11 36  1  0  0  0
 11 37  1  0  0  0
 12 13  2  0  0  0
 12 18  1  0  0  0
 13 16  1  0  0  0
 13 14  1  0  0  0
 14 15  1  0  0  0
 14 38  1  0  0  0
 14 39  1  0  0  0
 15 40  1  0  0  0
 15 41  1  0  0  0
 16 22  1  0  0  0
 16 17  2  0  0  0
 17 18  1  0  0  0
 17 19  1  0  0  0
 18 42  1  0  0  0
 19 20  2  0  0  0
 19 43  1  0  0  0
 20 21  1  0  0  0
 20 44  1  0  0  0
 21 22  2  0  0  0
 21 23  1  0  0  0
 22 45  1  0  0  0
 23 24  1  0  0  0
 24 46  1  0  0  0
 24 47  1  0  0  0
 24 48  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL396560

>  <PubChem CID>
44439942

>  <Formula>
C21H24N2O

>  <Molecular Weight>
320.436000

>  <IUPAC Name>


>  <XlogP>
4.3

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CN1CCC2=CC=CC=C2CC3=C(CC1)C4=C(N3)C=CC(=C4)OC

>  <Isomeric SMILES>
CN1CCC2=CC=CC=C2CC3=C(CC1)C4=C(N3)C=CC(=C4)OC

>  <InChI Std. ID>
InChI=1S/C21H24N2O/c1-23-11-9-15-5-3-4-6-16(15)13-21-18(10-12-23)19-14-17(24-2)7-8-20(19)22-21/h3-8,14,22H,9-13H2,1-2H3

>  <InChI Key>
AGZPZBJIQLGGOQ-UHFFFAOYSA-N

