57338792
  -OEChem-05102404442D

 36 38  0     0  0  0  0  0  0999 V2000
    2.8660    0.1719    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.8282    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4103   -1.6329    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9939   -0.8281    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.3281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.3282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4103   -0.0234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.1719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.8282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7210    0.9271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.3281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.3282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7210   -2.5834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0531    1.6714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6995    1.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3638    2.6219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0102    2.0838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3423    2.8282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.3281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.8282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.7919    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.4482    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1317   -2.7760    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9136   -3.1727    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3103   -2.3908    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4465    1.5436    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1136    0.6719    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9497    3.0834    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6168    2.2117    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5349    3.4175    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900    0.2088    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.6381    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -0.8651    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2460   -2.8282    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.4482    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4860   -2.8282    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  1 19  1  0  0  0  0
  2 12  1  0  0  0  0
  2 20  1  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  0  0  0  0
  3 13  1  0  0  0  0
  4  7  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  2  0  0  0  0
  6  9  2  0  0  0  0
  7 10  1  0  0  0  0
  8 11  1  0  0  0  0
  8 21  1  0  0  0  0
  9 12  1  0  0  0  0
  9 22  1  0  0  0  0
 10 14  2  0  0  0  0
 10 15  1  0  0  0  0
 11 12  2  0  0  0  0
 13 23  1  0  0  0  0
 13 24  1  0  0  0  0
 13 25  1  0  0  0  0
 14 16  1  0  0  0  0
 14 26  1  0  0  0  0
 15 17  2  0  0  0  0
 15 27  1  0  0  0  0
 16 18  2  0  0  0  0
 16 28  1  0  0  0  0
 17 18  1  0  0  0  0
 17 29  1  0  0  0  0
 18 30  1  0  0  0  0
 19 31  1  0  0  0  0
 19 32  1  0  0  0  0
 19 33  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
M  END
> <PUBCHEM_COMPOUND_CID>
57338792

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
320

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7MAAAAAAAAAAAAAAAAAAAAWAAAAAwYAAAAAAAAFgB9AAAHgAIAAAADAyBngYyxvIIBACiAyRiRACSDAAhogAY2CA+7JgNJqLE8duEtCpmyBlK6Aew0PMOIEABAgACQABAgAIEAASAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
5,6-dimethoxy-1-methyl-3-phenyl-indazole

> <PUBCHEM_IUPAC_CAS_NAME>
5,6-dimethoxy-1-methyl-3-phenylindazole

> <PUBCHEM_IUPAC_NAME_MARKUP>
5,6-dimethoxy-1-methyl-3-phenylindazole

> <PUBCHEM_IUPAC_NAME>
5,6-dimethoxy-1-methyl-3-phenylindazole

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
5,6-dimethoxy-1-methyl-3-phenyl-indazole

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
5,6-dimethoxy-1-methyl-3-phenyl-indazole

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C16H16N2O2/c1-18-13-10-15(20-3)14(19-2)9-12(13)16(17-18)11-7-5-4-6-8-11/h4-10H,1-3H3

> <PUBCHEM_IUPAC_INCHIKEY>
NQXGRAUPDCFFMQ-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.2

> <PUBCHEM_EXACT_MASS>
268.121177757

> <PUBCHEM_MOLECULAR_FORMULA>
C16H16N2O2

> <PUBCHEM_MOLECULAR_WEIGHT>
268.31

> <PUBCHEM_OPENEYE_CAN_SMILES>
CN1C2=CC(=C(C=C2C(=N1)C3=CC=CC=C3)OC)OC

> <PUBCHEM_OPENEYE_ISO_SMILES>
CN1C2=CC(=C(C=C2C(=N1)C3=CC=CC=C3)OC)OC

> <PUBCHEM_CACTVS_TPSA>
36.3

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
268.121177757

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
20

> <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>
10  14  8
10  15  8
11  12  8
14  16  8
15  17  8
16  18  8
17  18  8
3  4  8
3  6  8
4  7  8
5  6  8
5  7  8
5  8  8
6  9  8
8  11  8
9  12  8

$$$$