70634346
  -OEChem-05132415032D

 39 41  0     0  0  0  0  0  0999 V2000
    2.0000    1.2990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.7010    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1279    0.2990    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443   -0.5057    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1279    0.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.7990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6279   -0.5670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.2010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443    1.1038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1279   -1.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.7010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6279    1.1651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.7990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6279   -0.5670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.2010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6279    1.1651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1279    0.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6279   -2.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.7010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7369    1.6931    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6530   -1.0345    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6530   -1.8315    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.9190    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.3210    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3179    1.7020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9379   -1.1039    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9379    1.7020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0910   -2.6090    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9379   -2.8360    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1648   -1.9890    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7479    0.2990    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6200    2.2990    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.9190    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3800    2.2990    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3800   -1.7010    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.3210    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6200   -1.7010    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  1  0  0  0  0
  1 20  1  0  0  0  0
  2 16  1  0  0  0  0
  2 21  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  9  1  0  0  0  0
  4  8  2  0  0  0  0
  5  7  1  0  0  0  0
  5 13  2  0  0  0  0
  6  8  1  0  0  0  0
  6  9  2  0  0  0  0
  6 11  1  0  0  0  0
  7 10  1  0  0  0  0
  7 15  2  0  0  0  0
  8 12  1  0  0  0  0
  9 22  1  0  0  0  0
 10 19  1  0  0  0  0
 10 23  1  0  0  0  0
 10 24  1  0  0  0  0
 11 14  2  0  0  0  0
 11 25  1  0  0  0  0
 12 16  2  0  0  0  0
 12 26  1  0  0  0  0
 13 17  1  0  0  0  0
 13 27  1  0  0  0  0
 14 16  1  0  0  0  0
 15 18  1  0  0  0  0
 15 28  1  0  0  0  0
 17 18  2  0  0  0  0
 17 29  1  0  0  0  0
 18 33  1  0  0  0  0
 19 30  1  0  0  0  0
 19 31  1  0  0  0  0
 19 32  1  0  0  0  0
 20 34  1  0  0  0  0
 20 35  1  0  0  0  0
 20 36  1  0  0  0  0
 21 37  1  0  0  0  0
 21 38  1  0  0  0  0
 21 39  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
70634346

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
339

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7MAAAAAAAAAAAAAAAAAAAAWAAAAAwYAAAAAAAAFgB9AAAHgAIAAAADAzBngY+xvIIBACiAzRnRACSDCAxogAYmCA+7JgNJuLE8duEtCpmyBnK6Aew0JMOIEABAgACQABAgAIEAASAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-(2-ethylphenyl)-5,6-dimethoxy-indazole

> <PUBCHEM_IUPAC_CAS_NAME>
2-(2-ethylphenyl)-5,6-dimethoxyindazole

> <PUBCHEM_IUPAC_NAME_MARKUP>
2-(2-ethylphenyl)-5,6-dimethoxyindazole

> <PUBCHEM_IUPAC_NAME>
2-(2-ethylphenyl)-5,6-dimethoxyindazole

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-(2-ethylphenyl)-5,6-dimethoxy-indazole

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-(2-ethylphenyl)-5,6-dimethoxy-indazole

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C17H18N2O2/c1-4-12-7-5-6-8-15(12)19-11-13-9-16(20-2)17(21-3)10-14(13)18-19/h5-11H,4H2,1-3H3

> <PUBCHEM_IUPAC_INCHIKEY>
AYUHYQSEVPRPEN-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
4

> <PUBCHEM_EXACT_MASS>
282.136827821

> <PUBCHEM_MOLECULAR_FORMULA>
C17H18N2O2

> <PUBCHEM_MOLECULAR_WEIGHT>
282.34

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCC1=CC=CC=C1N2C=C3C=C(C(=CC3=N2)OC)OC

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCC1=CC=CC=C1N2C=C3C=C(C(=CC3=N2)OC)OC

> <PUBCHEM_CACTVS_TPSA>
36.3

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
282.136827821

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
21

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
11  14  8
12  16  8
13  17  8
14  16  8
15  18  8
17  18  8
3  4  8
3  9  8
4  8  8
5  13  8
5  7  8
6  11  8
6  8  8
6  9  8
7  15  8
8  12  8

$$$$