56588709
  -OEChem-05122403332D

 42 45  0     1  0  0  0  0  0999 V2000
    7.2241   -0.2574    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    5.4641    1.7772    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0611   -2.7673    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301    0.2564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301    1.2981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2241    1.8119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.2772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.2772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2125   -1.2574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.2228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.2772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0727   -1.7673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.2772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.7772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9444   -1.2774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.7772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.2772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8046   -1.7874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9213   -3.2772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7931   -2.7873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    3.2772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.7772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.7772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3392   -0.3273    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7410    0.3625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7410    1.1920    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3392    1.8818    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6177    2.2909    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8195    2.2817    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6032   -1.1426    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9937   -1.8375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.8428    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611   -0.0328    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9516   -0.6574    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    3.0872    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.6572    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3451   -1.4836    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9142   -3.8972    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3264   -3.1035    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    3.8972    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    1.4672    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    3.0872    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1  7  1  0  0  0  0
  1  9  1  0  0  0  0
  2  8  1  0  0  0  0
  2 11  2  0  0  0  0
  3 12  1  0  0  0  0
  3 19  2  0  0  0  0
  4  5  1  0  0  0  0
  4 24  1  0  0  0  0
  4 25  1  0  0  0  0
  5  6  1  0  0  0  0
  5 26  1  0  0  0  0
  5 27  1  0  0  0  0
  6  8  1  0  0  0  0
  6 28  1  0  0  0  0
  6 29  1  0  0  0  0
  7  8  2  0  0  0  0
  7 10  1  0  0  0  0
  9 12  1  0  0  0  0
  9 30  1  0  0  0  0
  9 31  1  0  0  0  0
 10 13  2  0  0  0  0
 10 32  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  1  0  0  0  0
 12 15  2  0  0  0  0
 13 33  1  0  0  0  0
 14 16  2  0  0  0  0
 14 17  1  0  0  0  0
 15 18  1  0  0  0  0
 15 34  1  0  0  0  0
 16 21  1  0  0  0  0
 16 35  1  0  0  0  0
 17 22  2  0  0  0  0
 17 36  1  0  0  0  0
 18 20  2  0  0  0  0
 18 37  1  0  0  0  0
 19 20  1  0  0  0  0
 19 38  1  0  0  0  0
 20 39  1  0  0  0  0
 21 23  2  0  0  0  0
 21 40  1  0  0  0  0
 22 23  1  0  0  0  0
 22 41  1  0  0  0  0
 23 42  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
56588709

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
366

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7AAAAAAAAAAAAAAAAAAAAAAAAAAA8WLEAAAAAAACx8AAAHAAAAAAADAjBHgQ8wJMIEACgAzRnRACCgCAxEiAI2CA4dJgIYOLAkZGUIAhggADIyAcQgMAOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
6-phenyl-1-(2-pyridylmethyl)-3,4-dihydro-2H-1,5-naphthyridine

> <PUBCHEM_IUPAC_CAS_NAME>
6-phenyl-1-(2-pyridinylmethyl)-3,4-dihydro-2H-1,5-naphthyridine

> <PUBCHEM_IUPAC_NAME_MARKUP>
6-phenyl-1-(pyridin-2-ylmethyl)-3,4-dihydro-2<I>H</I>-1,5-naphthyridine

> <PUBCHEM_IUPAC_NAME>
6-phenyl-1-(pyridin-2-ylmethyl)-3,4-dihydro-2H-1,5-naphthyridine

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
6-phenyl-1-(pyridin-2-ylmethyl)-3,4-dihydro-2H-1,5-naphthyridine

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
6-phenyl-1-(2-pyridylmethyl)-3,4-dihydro-2H-1,5-naphthyridine

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C20H19N3/c1-2-7-16(8-3-1)18-11-12-20-19(22-18)10-6-14-23(20)15-17-9-4-5-13-21-17/h1-5,7-9,11-13H,6,10,14-15H2

> <PUBCHEM_IUPAC_INCHIKEY>
QSMBPDJUDMAYRS-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.5

> <PUBCHEM_EXACT_MASS>
301.157897619

> <PUBCHEM_MOLECULAR_FORMULA>
C20H19N3

> <PUBCHEM_MOLECULAR_WEIGHT>
301.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1CC2=C(C=CC(=N2)C3=CC=CC=C3)N(C1)CC4=CC=CC=N4

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1CC2=C(C=CC(=N2)C3=CC=CC=C3)N(C1)CC4=CC=CC=N4

> <PUBCHEM_CACTVS_TPSA>
29

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
301.157897619

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
23

> <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  13  8
11  13  8
12  15  8
14  16  8
14  17  8
15  18  8
16  21  8
17  22  8
18  20  8
19  20  8
2  11  8
2  8  8
21  23  8
22  23  8
3  12  8
3  19  8
7  10  8
7  8  8

$$$$