70634251
  -OEChem-05102400392D

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    4.1840    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.6200    6.1172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6200    4.1172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2479    4.2512    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7479    5.1172    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1643    4.3124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2479    4.2512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7479    5.1172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7479    3.3851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7479    5.1172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2181    5.6172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1643    5.9219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2181    4.6172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7479    3.3851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7479    5.1172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3521    6.1172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3521    4.1172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4860    5.6172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4860    4.6172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6200    7.1172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6200    3.1172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6653    4.0391    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3556    3.6406    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3305    5.3292    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6402    5.7278    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1653    3.1731    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8556    2.7746    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8556    5.7278    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1653    5.3292    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3569    6.5112    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7479    2.7651    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3679    3.3851    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7479    4.0051    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7479    4.4972    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3679    5.1172    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7479    5.7372    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3521    6.7372    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3521    3.4972    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2400    7.1172    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6200    7.7372    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.1172    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.1172    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6200    2.4972    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2400    3.1172    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1840    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 45  1  0  0  0  0
  2 18  1  0  0  0  0
  2 20  1  0  0  0  0
  3 19  1  0  0  0  0
  3 21  1  0  0  0  0
  4  7  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
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  6 13  2  0  0  0  0
  7  8  1  0  0  0  0
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  7 23  1  0  0  0  0
  8 24  1  0  0  0  0
  8 25  1  0  0  0  0
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  9 27  1  0  0  0  0
 10 15  1  0  0  0  0
 10 28  1  0  0  0  0
 10 29  1  0  0  0  0
 11 12  2  0  0  0  0
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 15 34  1  0  0  0  0
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 17 38  1  0  0  0  0
 18 19  1  0  0  0  0
 20 39  1  0  0  0  0
 20 40  1  0  0  0  0
 20 41  1  0  0  0  0
 21 42  1  0  0  0  0
 21 43  1  0  0  0  0
 21 44  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
70634251

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
286

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
7

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBzMAAEAAAAAAAAAAAAAAAAAWAAAAAwAAAAAAAAAFgB8AAAHgAIAAAADAzBngY+xvMIBACiAzRnRACSDAAxogAQ2CA+7JgNZqLE8duUtCpmyBnK6Aew0BMOIEABAgACQABAgAIEAASAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-(5,6-dimethoxyindazol-2-yl)-N,N-diethyl-ethanamine;hydrochloride

> <PUBCHEM_IUPAC_CAS_NAME>
2-(5,6-dimethoxy-2-indazolyl)-N,N-diethylethanamine;hydrochloride

> <PUBCHEM_IUPAC_NAME_MARKUP>
2-(5,6-dimethoxyindazol-2-yl)-<I>N</I>,<I>N</I>-diethylethanamine;hydrochloride

> <PUBCHEM_IUPAC_NAME>
2-(5,6-dimethoxyindazol-2-yl)-N,N-diethylethanamine;hydrochloride

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-(5,6-dimethoxyindazol-2-yl)-N,N-diethyl-ethanamine;hydrochloride

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-(5,6-dimethoxyindazol-2-yl)ethyl-diethyl-amine;hydrochloride

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C15H23N3O2.ClH/c1-5-17(6-2)7-8-18-11-12-9-14(19-3)15(20-4)10-13(12)16-18;/h9-11H,5-8H2,1-4H3;1H

> <PUBCHEM_IUPAC_INCHIKEY>
QHZJPGCOPSBDDB-UHFFFAOYSA-N

> <PUBCHEM_EXACT_MASS>
313.1557047

> <PUBCHEM_MOLECULAR_FORMULA>
C15H24ClN3O2

> <PUBCHEM_MOLECULAR_WEIGHT>
313.82

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCN(CC)CCN1C=C2C=C(C(=CC2=N1)OC)OC.Cl

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCN(CC)CCN1C=C2C=C(C(=CC2=N1)OC)OC.Cl

> <PUBCHEM_CACTVS_TPSA>
39.5

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
313.1557047

> <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>
2

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
11  12  8
11  13  8
11  16  8
13  17  8
16  18  8
17  19  8
18  19  8
5  12  8
5  6  8
6  13  8

$$$$