
 1-Pentyl-3-phenyl-1H-pyrazolo[3,4-b]quinoxaline

 44 47  0  0  0  0  0  0  0  0999 V2000
    1.4255    3.9320    3.0467 C   0  0  0  0  0
    2.9234    3.8640    2.7955 C   0  0  0  0  0
    3.2410    3.8270    1.3006 C   0  0  0  0  0
    4.7490    3.7703    1.0548 C   0  0  0  0  0
    5.0675    3.7256   -0.4381 C   0  0  0  0  0
    6.4958    3.6832   -0.6857 N   0  0  0  0  0
    7.3169    4.7587   -0.8460 C   0  0  0  0  0
    6.9907    6.0675   -0.8187 N   0  0  0  0  0
    8.0588    6.8644   -1.0031 C   0  0  0  0  0
    7.8649    8.2399   -0.9975 C   0  0  0  0  0
    8.9252    9.1294   -1.1783 C   0  0  0  0  0
   10.2078    8.6356   -1.3691 C   0  0  0  0  0
   10.4187    7.2564   -1.3793 C   0  0  0  0  0
    9.3739    6.3593   -1.2013 C   0  0  0  0  0
    9.6575    5.0470   -1.2236 N   0  0  0  0  0
    8.5842    4.2335   -1.0377 C   0  0  0  0  0
    8.4246    2.8113   -0.9816 C   0  0  0  0  0
    7.1283    2.4928   -0.7639 N   0  0  0  0  0
    9.4467    1.7605   -1.1236 C   0  0  0  0  0
   10.7961    2.0678   -1.3528 C   0  0  0  0  0
   11.7531    1.0560   -1.4841 C   0  0  0  0  0
   11.3762   -0.2808   -1.3883 C   0  0  0  0  0
   10.0425   -0.6073   -1.1616 C   0  0  0  0  0
    9.0866    0.4049   -1.0306 C   0  0  0  0  0
    1.2218    3.9416    4.1221 H   0  0  0  0  0
    0.9143    3.0672    2.6119 H   0  0  0  0  0
    0.9959    4.8401    2.6118 H   0  0  0  0  0
    3.3295    2.9705    3.2839 H   0  0  0  0  0
    3.4049    4.7336    3.2578 H   0  0  0  0  0
    2.8226    4.7162    0.8135 H   0  0  0  0  0
    2.7609    2.9525    0.8447 H   0  0  0  0  0
    5.1717    2.8870    1.5500 H   0  0  0  0  0
    5.2294    4.6452    1.5108 H   0  0  0  0  0
    4.6652    4.6057   -0.9526 H   0  0  0  0  0
    4.6254    2.8390   -0.9076 H   0  0  0  0  0
    6.8607    8.6299   -0.8477 H   0  0  0  0  0
    8.7452   10.2015   -1.1686 H   0  0  0  0  0
   11.0443    9.3156   -1.5099 H   0  0  0  0  0
   11.4249    6.8710   -1.5291 H   0  0  0  0  0
   11.1331    3.0972   -1.4345 H   0  0  0  0  0
   12.7936    1.3167   -1.6613 H   0  0  0  0  0
   12.1208   -1.0660   -1.4903 H   0  0  0  0  0
    9.7410   -1.6486   -1.0860 H   0  0  0  0  0
    8.0503    0.1246   -0.8538 H   0  0  0  0  0
  1  2  1  0  0  0
  1 25  1  0  0  0
  1 26  1  0  0  0
  1 27  1  0  0  0
  2  3  1  0  0  0
  2 28  1  0  0  0
  2 29  1  0  0  0
  3  4  1  0  0  0
  3 30  1  0  0  0
  3 31  1  0  0  0
  4  5  1  0  0  0
  4 32  1  0  0  0
  4 33  1  0  0  0
  5  6  1  0  0  0
  5 34  1  0  0  0
  5 35  1  0  0  0
  6  7  1  0  0  0
  6 18  1  0  0  0
  7 16  1  0  0  0
  7  8  2  0  0  0
  8  9  1  0  0  0
  9 14  1  0  0  0
  9 10  2  0  0  0
 10 11  1  0  0  0
 10 36  1  0  0  0
 11 12  2  0  0  0
 11 37  1  0  0  0
 12 13  1  0  0  0
 12 38  1  0  0  0
 13 14  2  0  0  0
 13 39  1  0  0  0
 14 15  1  0  0  0
 15 16  2  0  0  0
 16 17  1  0  0  0
 17 19  1  0  0  0
 17 18  2  0  0  0
 19 20  2  0  0  0
 19 24  1  0  0  0
 20 21  1  0  0  0
 20 40  1  0  0  0
 21 22  2  0  0  0
 21 41  1  0  0  0
 22 23  1  0  0  0
 22 42  1  0  0  0
 23 24  2  0  0  0
 23 43  1  0  0  0
 24 44  1  0  0  0
M  END

>  <Chemical Name>
1-Pentyl-3-phenyl-1H-pyrazolo[3,4-b]quinoxaline

>  <PubChem CID>
2031089

>  <Formula>
C20H20N4

>  <Molecular Weight>
316.408000

>  <IUPAC Name>
1-pentyl-3-phenylpyrazolo[4,3-b]quinoxaline

>  <XlogP>
4.4

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CCCCCN1C2=NC3=CC=CC=C3N=C2C(=N1)C4=CC=CC=C4

>  <Isomeric SMILES>
CCCCCN1C2=NC3=CC=CC=C3N=C2C(=N1)C4=CC=CC=C4

>  <InChI Std. ID>
InChI=1S/C20H20N4/c1-2-3-9-14-24-20-19(18(23-24)15-10-5-4-6-11-15)21-16-12-7-8-13-17(16)22-20/h4-8,10-13H,2-3,9,14H2,1H3

>  <InChI Key>
DKOWSOMMUFZILP-UHFFFAOYSA-N

