
 CHEMBL234062

 41 44  0  0  0  0  0  0  0  0999 V2000
    2.8876    1.4803   -0.1754 C   0  0  0  0  0
    2.5650    0.0505   -0.5938 C   0  0  0  0  0
    2.9905   -0.2128   -1.9700 N   0  0  0  0  0
    4.4510   -0.0943   -2.0677 C   0  0  0  0  0
    4.9771    1.2958   -1.6815 C   0  0  0  0  0
    4.3720    1.8285   -0.3539 C   0  0  0  0  0
    4.5410    3.2988   -0.5941 C   0  0  0  0  0
    4.7202    3.5144   -1.9621 C   0  0  0  0  0
    4.6715    2.3153   -2.7207 N   0  0  0  0  0
    4.7952    4.7950   -2.4692 C   0  0  0  0  0
    4.7496    5.8738   -1.5752 C   0  0  0  0  0
    4.5984    5.6593   -0.1933 C   0  0  0  0  0
    4.4855    4.3548    0.3010 C   0  0  0  0  0
    4.5301    6.6360    0.7652 O   0  0  0  0  0
    4.6244    7.9874    0.3215 C   0  0  0  0  0
    4.5031    8.8964    1.5202 C   0  0  0  0  0
    3.2474    9.3582    1.9396 C   0  0  0  0  0
    3.1353   10.1966    3.0504 C   0  0  0  0  0
    4.2747   10.5739    3.7580 C   0  0  0  0  0
    5.5269   10.1085    3.3601 C   0  0  0  0  0
    5.6412    9.2700    2.2494 C   0  0  0  0  0
    2.5998    1.6347    0.8718 H   0  0  0  0  0
    2.2539    2.1621   -0.7608 H   0  0  0  0  0
    1.4831   -0.1091   -0.5260 H   0  0  0  0  0
    3.0297   -0.6674    0.0924 H   0  0  0  0  0
    2.5937    0.5138   -2.5748 H   0  0  0  0  0
    4.7486   -0.3298   -3.0963 H   0  0  0  0  0
    4.9160   -0.8548   -1.4280 H   0  0  0  0  0
    6.0723    1.2367   -1.5876 H   0  0  0  0  0
    4.9646    1.4753    0.4970 H   0  0  0  0  0
    5.3280    2.3398   -3.4966 H   0  0  0  0  0
    4.8815    4.9679   -3.5363 H   0  0  0  0  0
    4.8205    6.8724   -1.9928 H   0  0  0  0  0
    4.3411    4.1811    1.3625 H   0  0  0  0  0
    3.8195    8.2201   -0.3871 H   0  0  0  0  0
    5.5898    8.1647   -0.1699 H   0  0  0  0  0
    2.3482    9.0629    1.4037 H   0  0  0  0  0
    2.1579   10.5512    3.3661 H   0  0  0  0  0
    4.1867   11.2240    4.6240 H   0  0  0  0  0
    6.4151   10.3947    3.9179 H   0  0  0  0  0
    6.6238    8.9052    1.9571 H   0  0  0  0  0
  1  2  1  0  0  0
  1  6  1  0  0  0
  1 22  1  0  0  0
  1 23  1  0  0  0
  2  3  1  0  0  0
  2 24  1  0  0  0
  2 25  1  0  0  0
  3  4  1  0  0  0
  3 26  1  0  0  0
  4  5  1  0  0  0
  4 27  1  0  0  0
  4 28  1  0  0  0
  5  6  1  0  0  0
  5  9  1  0  0  0
  5 29  1  0  0  0
  6  7  1  0  0  0
  6 30  1  0  0  0
  7 13  1  0  0  0
  7  8  2  0  0  0
  8  9  1  0  0  0
  8 10  1  0  0  0
  9 31  1  0  0  0
 10 11  2  0  0  0
 10 32  1  0  0  0
 11 12  1  0  0  0
 11 33  1  0  0  0
 12 13  2  0  0  0
 12 14  1  0  0  0
 13 34  1  0  0  0
 14 15  1  0  0  0
 15 16  1  0  0  0
 15 35  1  0  0  0
 15 36  1  0  0  0
 16 17  2  0  0  0
 16 21  1  0  0  0
 17 18  1  0  0  0
 17 37  1  0  0  0
 18 19  2  0  0  0
 18 38  1  0  0  0
 19 20  1  0  0  0
 19 39  1  0  0  0
 20 21  2  0  0  0
 20 40  1  0  0  0
 21 41  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL234062

>  <PubChem CID>
44431059

>  <Formula>
C18H20N2O

>  <Molecular Weight>
280.371000

>  <IUPAC Name>
6-phenylmethoxy-2,3,4,4a,9,9a-hexahydro-1H-pyrido[3,4-b]indole

>  <XlogP>
3.0

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1CNCC2C1C3=C(N2)C=CC(=C3)OCC4=CC=CC=C4

>  <Isomeric SMILES>
C1CNCC2C1C3=C(N2)C=CC(=C3)OCC4=CC=CC=C4

>  <InChI Std. ID>
InChI=1S/C18H20N2O/c1-2-4-13(5-3-1)12-21-14-6-7-17-16(10-14)15-8-9-19-11-18(15)20-17/h1-7,10,15,18-20H,8-9,11-12H2

>  <InChI Key>
ARNYMYNELRCYNP-UHFFFAOYSA-N

