
 CHEMBL60270

 44 47  0  0  0  0  0  0  0  0999 V2000
    1.9991   -1.2177    0.5334 C   0  0  0  0  0
    2.7277    0.0717    0.0864 C   0  0  0  0  0
    3.9132    0.3157    1.0760 C   0  0  0  0  0
    4.3620    1.7674    1.3707 C   0  0  0  0  0
    3.2939    2.8621    1.1764 C   0  0  0  0  0
    2.4532    2.5779   -0.0734 C   0  0  0  0  0
    1.7262    1.2357    0.1670 C   0  0  0  0  0
    3.3721    2.5409   -1.3280 C   0  0  0  0  0
    3.4582    1.2236   -2.0499 C   0  0  0  0  0
    3.1560    0.0185   -1.3912 C   0  0  0  0  0
    3.1275   -1.1531   -2.1716 C   0  0  0  0  0
    3.4073   -1.0953   -3.5515 C   0  0  0  0  0
    3.7676    0.0879   -4.1647 C   0  0  0  0  0
    3.8065    1.2520   -3.4062 C   0  0  0  0  0
    3.3027   -2.2006   -4.3362 O   0  0  0  0  0
    1.3978    3.6942   -0.1849 C   0  0  0  0  0
    1.9309    5.0488   -0.1265 N   0  0  0  0  0
    2.8837    5.2533    0.9532 C   0  0  0  0  0
    3.8910    4.1993    1.0497 N   0  0  0  0  0
    2.3465    5.6080   -1.4058 C   0  0  0  0  0
    1.1315   -1.4348   -0.1018 H   0  0  0  0  0
    1.6301   -1.1271    1.5615 H   0  0  0  0  0
    2.6675   -2.0853    0.5081 H   0  0  0  0  0
    4.7900   -0.2604    0.7517 H   0  0  0  0  0
    3.6390   -0.1108    2.0527 H   0  0  0  0  0
    4.7250    1.8145    2.4116 H   0  0  0  0  0
    5.2523    1.9838    0.7599 H   0  0  0  0  0
    2.6539    2.8525    2.0716 H   0  0  0  0  0
    0.9194    1.1035   -0.5698 H   0  0  0  0  0
    1.2365    1.2448    1.1502 H   0  0  0  0  0
    4.4067    2.8446   -1.1022 H   0  0  0  0  0
    3.0093    3.2602   -2.0720 H   0  0  0  0  0
    2.8533   -2.1044   -1.7408 H   0  0  0  0  0
    3.9853    0.1197   -5.2227 H   0  0  0  0  0
    4.0614    2.1921   -3.8887 H   0  0  0  0  0
    2.8938   -2.9116   -3.8259 H   0  0  0  0  0
    0.7836    3.5492   -1.0828 H   0  0  0  0  0
    0.6895    3.5970    0.6506 H   0  0  0  0  0
    2.3399    5.3316    1.9007 H   0  0  0  0  0
    3.3964    6.2178    0.8245 H   0  0  0  0  0
    4.4774    4.3895    1.8589 H   0  0  0  0  0
    2.2342    6.6944   -1.3883 H   0  0  0  0  0
    1.7114    5.2543   -2.2270 H   0  0  0  0  0
    3.3906    5.3836   -1.6601 H   0  0  0  0  0
  1  2  1  0  0  0
  1 21  1  0  0  0
  1 22  1  0  0  0
  1 23  1  0  0  0
  2  7  1  0  0  0
  2 10  1  0  0  0
  2  3  1  0  0  0
  3  4  1  0  0  0
  3 24  1  0  0  0
  3 25  1  0  0  0
  4  5  1  0  0  0
  4 26  1  0  0  0
  4 27  1  0  0  0
  5  6  1  0  0  0
  5 19  1  0  0  0
  5 28  1  0  0  0
  6 16  1  0  0  0
  6  7  1  0  0  0
  6  8  1  0  0  0
  7 29  1  0  0  0
  7 30  1  0  0  0
  8  9  1  0  0  0
  8 31  1  0  0  0
  8 32  1  0  0  0
  9 10  2  0  0  0
  9 14  1  0  0  0
 10 11  1  0  0  0
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 14 35  1  0  0  0
 15 36  1  0  0  0
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 20 42  1  0  0  0
 20 43  1  0  0  0
 20 44  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL60270

>  <PubChem CID>
44302324

>  <Formula>
C17H24N2O

>  <Molecular Weight>
272.392000

>  <IUPAC Name>


>  <XlogP>
2.7

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC12CCC3C(C1)(CC4=C2C=C(C=C4)O)CN(CN3)C

>  <Isomeric SMILES>
CC12CCC3C(C1)(CC4=C2C=C(C=C4)O)CN(CN3)C

>  <InChI Std. ID>
InChI=1S/C17H24N2O/c1-16-6-5-15-17(9-16,10-19(2)11-18-15)8-12-3-4-13(20)7-14(12)16/h3-4,7,15,18,20H,5-6,8-11H2,1-2H3

>  <InChI Key>
AFTHUEYDCBUGFM-UHFFFAOYSA-N

