
 CHEMBL2432053

 44 49  0  0  0  0  0  0  0  0999 V2000
    1.6180    0.5862   -0.2246 C   0  0  0  0  0
    2.9303    0.8534    0.3767 N   0  0  0  0  0
    3.2666    2.2967    0.2562 C   0  0  0  0  0
    2.3390    3.2496    1.0291 C   0  0  0  0  0
    2.8591    4.6652    0.9484 C   0  0  0  0  0
    3.2005    5.3667    2.1018 C   0  0  0  0  0
    3.6916    6.6643    1.9780 C   0  0  0  0  0
    3.8249    7.2270    0.7149 C   0  0  0  0  0
    3.4535    6.4665   -0.3792 C   0  0  0  0  0
    2.9736    5.2067   -0.2906 N   0  0  0  0  0
    3.9882    0.0387   -0.2503 C   0  0  0  0  0
    3.7224   -1.4879   -0.3778 C   0  0  0  0  0
    5.1073   -1.9899   -0.8666 C   0  0  0  0  0
    5.2143   -3.4102   -0.3460 C   0  0  0  0  0
    4.9011   -3.0232    1.0869 C   0  0  0  0  0
    3.5471   -2.2543    0.9818 C   0  0  0  0  0
    3.6820   -1.3192    2.1691 C   0  0  0  0  0
    2.8805   -1.2183    3.0816 O   0  0  0  0  0
    5.1285   -0.7123    1.9678 C   0  0  0  0  0
    5.9414   -1.9036    1.3880 C   0  0  0  0  0
    6.0652   -1.1859    0.0370 C   0  0  0  0  0
    5.2899    0.0263    0.5925 C   0  0  0  0  0
    1.3274   -0.4618   -0.0978 H   0  0  0  0  0
    1.6000    0.8254   -1.2940 H   0  0  0  0  0
    0.8273    1.1556    0.2728 H   0  0  0  0  0
    3.2965    2.5827   -0.8042 H   0  0  0  0  0
    4.2771    2.4605    0.6481 H   0  0  0  0  0
    2.2640    2.9283    2.0749 H   0  0  0  0  0
    1.3258    3.2468    0.6133 H   0  0  0  0  0
    3.0935    4.9146    3.0830 H   0  0  0  0  0
    3.9692    7.2302    2.8621 H   0  0  0  0  0
    4.2068    8.2320    0.5855 H   0  0  0  0  0
    3.5351    6.8591   -1.3889 H   0  0  0  0  0
    4.2069    0.4321   -1.2545 H   0  0  0  0  0
    2.9311   -1.7496   -1.0866 H   0  0  0  0  0
    5.2882   -1.8484   -1.9346 H   0  0  0  0  0
    4.4734   -4.0861   -0.7832 H   0  0  0  0  0
    6.2215   -3.8229   -0.4598 H   0  0  0  0  0
    4.9062   -3.8303    1.8226 H   0  0  0  0  0
    2.6652   -2.8961    1.0154 H   0  0  0  0  0
    5.5674   -0.2183    2.8356 H   0  0  0  0  0
    6.8712   -2.1838    1.8855 H   0  0  0  0  0
    7.0810   -1.0144   -0.3238 H   0  0  0  0  0
    5.8704    0.9518    0.6328 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 11  1  0  0  0
  2  3  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
 11 12  1  0  0  0
 11 22  1  0  0  0
 11 34  1  0  0  0
 12 13  1  0  0  0
 12 16  1  0  0  0
 12 35  1  0  0  0
 13 21  1  0  0  0
 13 14  1  0  0  0
 13 36  1  0  0  0
 14 15  1  0  0  0
 14 37  1  0  0  0
 14 38  1  0  0  0
 15 20  1  0  0  0
 15 16  1  0  0  0
 15 39  1  0  0  0
 16 17  1  0  0  0
 16 40  1  0  0  0
 17 19  1  0  0  0
 17 18  2  0  0  0
 19 22  1  0  0  0
 19 20  1  0  0  0
 19 41  1  0  0  0
 20 21  1  0  0  0
 20 42  1  0  0  0
 21 22  1  0  0  0
 21 43  1  0  0  0
 22 44  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL2432053

>  <PubChem CID>
73346335

>  <Formula>
C19H22N2O

>  <Molecular Weight>
294.398000

>  <IUPAC Name>


>  <XlogP>
2.0

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CN(CCC1=CC=CC=N1)C2C3C4CC5C3C(=O)C6C5C4C62

>  <Isomeric SMILES>
CN(CCC1=CC=CC=N1)[C@H]2C3C4CC5C3C(=O)C6C2C4C56

>  <InChI Std. ID>
InChI=1S/C19H22N2O/c1-21(7-5-9-4-2-3-6-20-9)18-14-10-8-11-13-12(10)16(18)17(13)19(22)15(11)14/h2-4,6,10-18H,5,7-8H2,1H3/t10?,11?,12?,13?,14?,15?,16?,17?,18-/m0/s1

>  <InChI Key>
DEOOAAFCKARVDM-CAUKCHDASA-N

