22496603
  -OEChem-05132422372D

 34 36  0     1  0  0  0  0  0999 V2000
    7.7948   -0.1799    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2065   -0.3820    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6229   -1.1867    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6067    1.7253    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0188   -0.1867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1527   -0.6867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0027    0.8548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9007    1.3825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8958    0.5685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8848   -0.6867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1527   -1.6867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8028    0.8617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9173    0.7747    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.8848   -1.6867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0188   -2.1867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2065   -1.9915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2495    0.0304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7847    1.4352    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3935    0.7393    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2980    1.8585    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4998    1.8554    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5097    0.6559    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9164    1.1882    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4128    0.7509    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0163    1.4438    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3107    0.9026    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0188   -2.8067    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4217   -1.9967    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0139   -2.5808    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7880    0.4445    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8354   -0.4310    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7110   -0.3836    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.8531    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0207    2.1867    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1 12  1  0  0  0  0
  2  3  1  0  0  0  0
  2  6  1  0  0  0  0
  2  9  1  0  0  0  0
  3 16  2  0  0  0  0
  4 13  1  0  0  0  0
  4 33  1  0  0  0  0
  4 34  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 10  2  0  0  0  0
  6 11  2  0  0  0  0
  7  8  1  0  0  0  0
  7 18  1  0  0  0  0
  7 19  1  0  0  0  0
  8 12  1  0  0  0  0
  8 20  1  0  0  0  0
  8 21  1  0  0  0  0
  9 13  1  0  0  0  0
  9 22  1  0  0  0  0
  9 23  1  0  0  0  0
 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
 11 16  1  0  0  0  0
 12 24  1  0  0  0  0
 12 25  1  0  0  0  0
 13 17  1  0  0  0  0
 13 26  1  0  0  0  0
 14 15  2  0  0  0  0
 14 28  1  0  0  0  0
 15 27  1  0  0  0  0
 16 29  1  0  0  0  0
 17 30  1  0  0  0  0
 17 31  1  0  0  0  0
 17 32  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
22496603

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
273

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBzIAAAAAAAAAAAAAAAAAAAAWAAAAA0QAAAAAAAAFiR8AAAHgAYAAAADCzhngY+xvJIBACiAzRnRACSDAAhoAAY2KAuTJgMZqLE8duWvCjm2BnI6AeQ0OMOIAACAgAKAABAAAQEABQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
1-(8,9-dihydro-7H-pyrano[2,3-g]indazol-1-yl)propan-2-amine

> <PUBCHEM_IUPAC_CAS_NAME>
1-(8,9-dihydro-7H-pyrano[2,3-g]indazol-1-yl)-2-propanamine

> <PUBCHEM_IUPAC_NAME_MARKUP>
1-(8,9-dihydro-7<I>H</I>-pyrano[2,3-g]indazol-1-yl)propan-2-amine

> <PUBCHEM_IUPAC_NAME>
1-(8,9-dihydro-7H-pyrano[2,3-g]indazol-1-yl)propan-2-amine

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
1-(8,9-dihydro-7H-pyrano[2,3-g]indazol-1-yl)propan-2-amine

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
[2-(8,9-dihydro-7H-pyran[2,3-g]indazol-1-yl)-1-methyl-ethyl]amine

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C13H17N3O/c1-9(14)8-16-13-10(7-15-16)4-5-12-11(13)3-2-6-17-12/h4-5,7,9H,2-3,6,8,14H2,1H3

> <PUBCHEM_IUPAC_INCHIKEY>
FJRIVFVALIEIOY-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
1.4

> <PUBCHEM_EXACT_MASS>
231.137162174

> <PUBCHEM_MOLECULAR_FORMULA>
C13H17N3O

> <PUBCHEM_MOLECULAR_WEIGHT>
231.29

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC(CN1C2=C(C=CC3=C2CCCO3)C=N1)N

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC(CN1C2=C(C=CC3=C2CCCO3)C=N1)N

> <PUBCHEM_CACTVS_TPSA>
53.1

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
231.137162174

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
17

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
1

> <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
11  15  8
11  16  8
14  15  8
2  3  8
2  6  8
3  16  8
13  4  3
5  10  8
5  6  8
6  11  8

$$$$