
 CHEMBL233851

 38 41  0  0  0  0  0  0  0  0999 V2000
   -1.6234   -1.0052    0.8927 C   0  0  0  0  0
   -2.9966   -0.6562    1.5035 C   0  0  0  0  0
   -3.7231    0.3855    0.7758 N   0  0  0  0  0
   -3.0951    1.5159    0.2928 C   0  0  0  0  0
   -3.7257    2.5171   -0.0277 O   0  0  0  0  0
   -1.6655    1.3898    0.1960 C   0  0  0  0  0
   -0.9357    0.2480    0.4698 C   0  0  0  0  0
    0.4405    0.5321    0.2287 C   0  0  0  0  0
    0.4969    1.8652   -0.1979 C   0  0  0  0  0
   -0.7899    2.3593   -0.2003 N   0  0  0  0  0
    1.6932    2.4979   -0.5488 C   0  0  0  0  0
    2.8646    1.7448   -0.4782 C   0  0  0  0  0
    2.8424    0.4153   -0.0554 C   0  0  0  0  0
    1.6425   -0.2108    0.3248 C   0  0  0  0  0
    1.5634   -1.5132    0.7571 O   0  0  0  0  0
    2.7487   -2.0339    1.3603 C   0  0  0  0  0
    2.4271   -3.3201    2.0836 C   0  0  0  0  0
    2.6316   -3.4324    3.4664 C   0  0  0  0  0
    2.3778   -4.6369    4.1250 C   0  0  0  0  0
    1.9166   -5.7400    3.4094 C   0  0  0  0  0
    1.7032   -5.6388    2.0358 C   0  0  0  0  0
    1.9558   -4.4350    1.3755 C   0  0  0  0  0
   -1.7678   -1.6382    0.0086 H   0  0  0  0  0
   -1.0294   -1.5698    1.6182 H   0  0  0  0  0
   -3.6353   -1.5443    1.5486 H   0  0  0  0  0
   -2.8633   -0.2825    2.5259 H   0  0  0  0  0
   -4.7137    0.5053    0.9384 H   0  0  0  0  0
   -1.0600    3.2954   -0.4714 H   0  0  0  0  0
    1.7138    3.5311   -0.8801 H   0  0  0  0  0
    3.8102    2.2010   -0.7633 H   0  0  0  0  0
    3.7855   -0.1221   -0.0438 H   0  0  0  0  0
    3.1690   -1.3095    2.0698 H   0  0  0  0  0
    3.4979   -2.2567    0.5905 H   0  0  0  0  0
    2.9951   -2.5832    4.0408 H   0  0  0  0  0
    2.5436   -4.7150    5.1964 H   0  0  0  0  0
    1.7237   -6.6786    3.9222 H   0  0  0  0  0
    1.3429   -6.4987    1.4772 H   0  0  0  0  0
    1.7873   -4.3673    0.3026 H   0  0  0  0  0
  1  2  1  0  0  0
  1  7  1  0  0  0
  1 23  1  0  0  0
  1 24  1  0  0  0
  2  3  1  0  0  0
  2 25  1  0  0  0
  2 26  1  0  0  0
  3  4  1  0  0  0
  3 27  1  0  0  0
  4  6  1  0  0  0
  4  5  2  0  0  0
  6  7  2  0  0  0
  6 10  1  0  0  0
  7  8  1  0  0  0
  8  9  2  0  0  0
  8 14  1  0  0  0
  9 10  1  0  0  0
  9 11  1  0  0  0
 10 28  1  0  0  0
 11 12  2  0  0  0
 11 29  1  0  0  0
 12 13  1  0  0  0
 12 30  1  0  0  0
 13 14  2  0  0  0
 13 31  1  0  0  0
 14 15  1  0  0  0
 15 16  1  0  0  0
 16 17  1  0  0  0
 16 32  1  0  0  0
 16 33  1  0  0  0
 17 18  2  0  0  0
 17 22  1  0  0  0
 18 19  1  0  0  0
 18 34  1  0  0  0
 19 20  2  0  0  0
 19 35  1  0  0  0
 20 21  1  0  0  0
 20 36  1  0  0  0
 21 22  2  0  0  0
 21 37  1  0  0  0
 22 38  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL233851

>  <PubChem CID>
44431057

>  <Formula>
C18H16N2O2

>  <Molecular Weight>
292.338000

>  <IUPAC Name>
5-phenylmethoxy-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-one

>  <XlogP>
3.2

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
C1CNC(=O)C2=C1C3=C(N2)C=CC=C3OCC4=CC=CC=C4

>  <Isomeric SMILES>
C1CNC(=O)C2=C1C3=C(N2)C=CC=C3OCC4=CC=CC=C4

>  <InChI Std. ID>
InChI=1S/C18H16N2O2/c21-18-17-13(9-10-19-18)16-14(20-17)7-4-8-15(16)22-11-12-5-2-1-3-6-12/h1-8,20H,9-11H2,(H,19,21)

>  <InChI Key>
BNVIMPOUTKZNFX-UHFFFAOYSA-N

