
 Cyanopindolol

 42 43  0  0  0  0  0  0  0  0999 V2000
    5.6447   -2.0649    0.4667 C   0  0  0  0  0
    4.5544   -1.2597    1.1939 C   0  0  0  0  0
    3.1814   -1.5535    0.5666 C   0  0  0  0  0
    4.5188   -1.7181    2.6654 C   0  0  0  0  0
    4.8319    0.1898    1.2108 N   0  0  0  0  0
    4.9683    0.8343   -0.1038 C   0  0  0  0  0
    5.3041    2.3352    0.0224 C   0  0  0  0  0
    4.1975    3.1268    0.7310 C   0  0  0  0  0
    4.5102    4.5262    0.6129 O   0  0  0  0  0
    3.4729    5.3984    0.8350 C   0  0  0  0  0
    2.2898    5.0654    1.5151 C   0  0  0  0  0
    1.2618    5.9952    1.6811 C   0  0  0  0  0
    1.3780    7.2961    1.1909 C   0  0  0  0  0
    2.5703    7.6337    0.5450 C   0  0  0  0  0
    3.6155    6.7250    0.3609 C   0  0  0  0  0
    4.6530    7.4289   -0.3236 C   0  0  0  0  0
    4.2258    8.7224   -0.5319 C   0  0  0  0  0
    2.9636    8.8305   -0.0119 N   0  0  0  0  0
    4.9142    9.7964   -1.1599 C   0  0  0  0  0
    5.4453   10.6947   -1.6642 N   0  0  0  0  0
    6.5503    2.4884    0.7220 O   0  0  0  0  0
    6.6383   -1.8520    0.8772 H   0  0  0  0  0
    5.6674   -1.8508   -0.6069 H   0  0  0  0  0
    5.4698   -3.1424    0.5715 H   0  0  0  0  0
    3.1626   -1.3298   -0.5051 H   0  0  0  0  0
    2.3901   -0.9675    1.0485 H   0  0  0  0  0
    2.9186   -2.6122    0.6778 H   0  0  0  0  0
    5.4780   -1.5395    3.1658 H   0  0  0  0  0
    4.3073   -2.7918    2.7388 H   0  0  0  0  0
    3.7416   -1.1917    3.2318 H   0  0  0  0  0
    5.7045    0.3689    1.7186 H   0  0  0  0  0
    4.0451    0.7320   -0.6828 H   0  0  0  0  0
    5.7837    0.3635   -0.6624 H   0  0  0  0  0
    5.4609    2.7479   -0.9814 H   0  0  0  0  0
    4.1680    2.8731    1.7968 H   0  0  0  0  0
    3.2377    2.9039    0.2501 H   0  0  0  0  0
    2.1438    4.0751    1.9370 H   0  0  0  0  0
    0.3543    5.7003    2.2043 H   0  0  0  0  0
    0.5742    8.0138    1.3216 H   0  0  0  0  0
    5.6106    7.0184   -0.6183 H   0  0  0  0  0
    2.3994    9.6697   -0.0236 H   0  0  0  0  0
    6.6517    3.4474    0.8717 H   0  0  0  0  0
  1  2  1  0  0  0
  1 22  1  0  0  0
  1 23  1  0  0  0
  1 24  1  0  0  0
  2  5  1  0  0  0
  2  4  1  0  0  0
  2  3  1  0  0  0
  3 25  1  0  0  0
  3 26  1  0  0  0
  3 27  1  0  0  0
  4 28  1  0  0  0
  4 29  1  0  0  0
  4 30  1  0  0  0
  5  6  1  0  0  0
  5 31  1  0  0  0
  6  7  1  0  0  0
  6 32  1  0  0  0
  6 33  1  0  0  0
  7 21  1  0  0  0
  7  8  1  0  0  0
  7 34  1  0  0  0
  8  9  1  0  0  0
  8 35  1  0  0  0
  8 36  1  0  0  0
  9 10  1  0  0  0
 10 11  2  0  0  0
 10 15  1  0  0  0
 11 12  1  0  0  0
 11 37  1  0  0  0
 12 13  2  0  0  0
 12 38  1  0  0  0
 13 14  1  0  0  0
 13 39  1  0  0  0
 14 18  1  0  0  0
 14 15  2  0  0  0
 15 16  1  0  0  0
 16 17  2  0  0  0
 16 40  1  0  0  0
 17 18  1  0  0  0
 17 19  1  0  0  0
 18 41  1  0  0  0
 19 20  3  0  0  0
 21 42  1  0  0  0
M  END

>  <Chemical Name>
Cyanopindolol

>  <PubChem CID>
155346

>  <Formula>
C16H21N3O2

>  <Molecular Weight>
287.363000

>  <IUPAC Name>
4-[3-(tert-butylamino)-2-hydroxypropoxy]-1H-indole-2-carbonitrile

>  <XlogP>
2.000

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC(C)(C)NCC(COC1=CC=CC2=C1C=C(N2)C#N)O

>  <Isomeric SMILES>
CC(C)(C)NCC(COC1=CC=CC2=C1C=C(N2)C#N)O

>  <InChI Std. ID>
InChI=1S/C16H21N3O2/c1-16(2,3)18-9-12(20)10-21-15-6-4-5-14-13(15)7-11(8-17)19-14/h4-7,12,18-20H,9-10H2,1-3H3

>  <InChI Key>
QXIUMMLTJVHILT-UHFFFAOYSA-N

