659413
  -OEChem-04182400222D

 36 40  0     0  0  0  0  0  0999 V2000
    5.0341   -3.4969    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3992    0.4274    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.5690    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6508    0.4620    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0404   -3.5165    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5332   -2.0726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5332   -1.0726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3992   -2.5726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2652   -2.0726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6392   -0.5379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2652   -1.0726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6392   -2.6072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3992   -0.5726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7332   -1.0518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7332   -2.0934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1592   -2.6072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1592   -0.5379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7906    0.9720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0652   -2.0934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0652   -1.0518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8022    1.9719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6179    2.5503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3199    3.5049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3200    3.5165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1974   -0.7397    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1974   -2.4054    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1913    0.7658    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1520   -3.2272    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1520    0.0820    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1813    1.0867    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5718    0.3919    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6010   -2.4054    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6010   -0.7397    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2053    2.3519    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6901    4.0022    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9614    4.0222    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  8  1  0  0  0  0
  2 13  2  0  0  0  0
  3 21  1  0  0  0  0
  3 24  1  0  0  0  0
  4 10  1  0  0  0  0
  4 18  1  0  0  0  0
  4 27  1  0  0  0  0
  5 12  2  0  0  0  0
  6  7  1  0  0  0  0
  6  8  2  0  0  0  0
  6 12  1  0  0  0  0
  7 10  2  0  0  0  0
  7 13  1  0  0  0  0
  8  9  1  0  0  0  0
  9 11  1  0  0  0  0
  9 16  2  0  0  0  0
 10 14  1  0  0  0  0
 11 13  1  0  0  0  0
 11 17  2  0  0  0  0
 12 15  1  0  0  0  0
 14 15  2  0  0  0  0
 14 25  1  0  0  0  0
 15 26  1  0  0  0  0
 16 19  1  0  0  0  0
 16 28  1  0  0  0  0
 17 20  1  0  0  0  0
 17 29  1  0  0  0  0
 18 21  1  0  0  0  0
 18 30  1  0  0  0  0
 18 31  1  0  0  0  0
 19 20  2  0  0  0  0
 19 32  1  0  0  0  0
 20 33  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 22 34  1  0  0  0  0
 23 24  2  0  0  0  0
 23 35  1  0  0  0  0
 24 36  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
659413

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
499

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccB7MAAAAAAAAAAAAAAAAAAAAWJAAAAwYMAAAAAAAFjB/AAAHgAUAAAADAzhngYwxPLQBECpA6xywgCCCAAlIgAomKG+bNoOJrrEtbuHOajm0BnY6ce/2fKOgACAQAASAACAAQaAADQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
10-(2-furylmethylamino)-15-oxa-14-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,9,11,13-heptaen-8-one

> <PUBCHEM_IUPAC_CAS_NAME>
10-(2-furanylmethylamino)-15-oxa-14-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,9,11,13-heptaen-8-one

> <PUBCHEM_IUPAC_NAME_MARKUP>
10-(furan-2-ylmethylamino)-15-oxa-14-azatetracyclo[7.6.1.0<SUP>2,7</SUP>.0<SUP>13,16</SUP>]hexadeca-1(16),2,4,6,9,11,13-heptaen-8-one

> <PUBCHEM_IUPAC_NAME>
10-(furan-2-ylmethylamino)-15-oxa-14-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,9,11,13-heptaen-8-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
10-(furan-2-ylmethylamino)-15-oxa-14-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,9,11,13-heptaen-8-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
10-(2-furfurylamino)-15-oxa-14-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,9,11,13-heptaen-8-one

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C19H12N2O3/c22-18-12-5-1-2-6-13(12)19-17-15(21-24-19)8-7-14(16(17)18)20-10-11-4-3-9-23-11/h1-9,20H,10H2

> <PUBCHEM_IUPAC_INCHIKEY>
FIXGNCWNTHTYMQ-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
4

> <PUBCHEM_EXACT_MASS>
316.08479225

> <PUBCHEM_MOLECULAR_FORMULA>
C19H12N2O3

> <PUBCHEM_MOLECULAR_WEIGHT>
316.3

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC=C2C(=C1)C3=C4C(=NO3)C=CC(=C4C2=O)NCC5=CC=CO5

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC=C2C(=C1)C3=C4C(=NO3)C=CC(=C4C2=O)NCC5=CC=CO5

> <PUBCHEM_CACTVS_TPSA>
68.3

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
316.08479225

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
24

> <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>
1  5  8
1  8  8
10  14  8
11  17  8
12  15  8
14  15  8
16  19  8
17  20  8
19  20  8
21  22  8
22  23  8
23  24  8
3  21  8
3  24  8
5  12  8
6  12  8
6  7  8
6  8  8
7  10  8
9  11  8
9  16  8

$$$$