131664
  -OEChem-04232421462D

 51 54  0     1  0  0  0  0  0999 V2000
   10.3370    1.9224    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.9609    3.3302    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5594   -0.9992    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0749    1.9466    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8069    1.9466    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5669    1.9119    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9718    0.9578    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.7161    0.2900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000    0.7486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    1.6146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1671    2.3517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5099   -0.6885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2542   -1.3564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0480   -2.3349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7923   -3.0027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9409    2.4466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000   -0.1174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000    1.6146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000   -0.1174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.7486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5861   -3.9812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7428   -2.6920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9409    3.4466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8069    3.9466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6730    2.4466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6730    3.4466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5669    3.9812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4730    3.4674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4730    2.4257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5504    1.1808    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2914    0.0587    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0438    0.8163    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8295   -1.5876    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5818   -0.8300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4727   -2.1036    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7203   -2.8612    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9201   -2.3960    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8100   -0.6543    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1900    2.1516    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1900   -0.6543    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3800    0.7486    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9794   -3.8534    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4582   -4.5879    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1927   -4.1091    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9354   -3.2814    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3321   -2.4994    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5502   -2.1027    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4040    3.7566    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8069    4.5666    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5597    4.6012    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0087    3.7794    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 29  1  0  0  0  0
  2 11  2  0  0  0  0
  3 12  2  0  0  0  0
  4  7  1  0  0  0  0
  4 11  1  0  0  0  0
  4 16  1  0  0  0  0
  5 16  2  0  0  0  0
  5 25  1  0  0  0  0
  6 25  1  0  0  0  0
  6 29  2  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 30  1  0  0  0  0
  8 12  1  0  0  0  0
  8 31  1  0  0  0  0
  8 32  1  0  0  0  0
  9 10  1  0  0  0  0
  9 17  2  0  0  0  0
 10 11  1  0  0  0  0
 10 18  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 33  1  0  0  0  0
 13 34  1  0  0  0  0
 14 15  1  0  0  0  0
 14 35  1  0  0  0  0
 14 36  1  0  0  0  0
 15 21  1  0  0  0  0
 15 22  1  0  0  0  0
 15 37  1  0  0  0  0
 16 23  1  0  0  0  0
 17 19  1  0  0  0  0
 17 38  1  0  0  0  0
 18 20  1  0  0  0  0
 18 39  1  0  0  0  0
 19 20  2  0  0  0  0
 19 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
 22 45  1  0  0  0  0
 22 46  1  0  0  0  0
 22 47  1  0  0  0  0
 23 24  2  0  0  0  0
 23 48  1  0  0  0  0
 24 26  1  0  0  0  0
 24 49  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 27 50  1  0  0  0  0
 28 29  1  0  0  0  0
 28 51  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
131664

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
613

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
6

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7MAAEAAAAAAAAAAAAAAAAAWAAAAA8WIAAAAAAAFix/AAAHgIAAAAADS7BmyQzsN8IEACoAqNydACCgCklB6AJmCE4ZtiIKPrBn5GEIQhohwLIyacciMCOgAAAAAAQAAAAAAAAACAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-(7-chloro-1,8-naphthyridin-2-yl)-3-(5-methyl-2-oxo-hexyl)isoindolin-1-one

> <PUBCHEM_IUPAC_CAS_NAME>
2-(7-chloro-1,8-naphthyridin-2-yl)-3-(5-methyl-2-oxohexyl)-3H-isoindol-1-one

> <PUBCHEM_IUPAC_NAME_MARKUP>
2-(7-chloro-1,8-naphthyridin-2-yl)-3-(5-methyl-2-oxohexyl)-3<I>H</I>-isoindol-1-one

> <PUBCHEM_IUPAC_NAME>
2-(7-chloro-1,8-naphthyridin-2-yl)-3-(5-methyl-2-oxohexyl)-3H-isoindol-1-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-(7-chloranyl-1,8-naphthyridin-2-yl)-3-(5-methyl-2-oxidanylidene-hexyl)-3H-isoindol-1-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-(7-chloro-1,8-naphthyridin-2-yl)-3-(2-keto-5-methyl-hexyl)isoindolin-1-one

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C23H22ClN3O2/c1-14(2)7-10-16(28)13-19-17-5-3-4-6-18(17)23(29)27(19)21-12-9-15-8-11-20(24)25-22(15)26-21/h3-6,8-9,11-12,14,19H,7,10,13H2,1-2H3

> <PUBCHEM_IUPAC_INCHIKEY>
HIUPRQPBWVEQJJ-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
4.6

> <PUBCHEM_EXACT_MASS>
407.1400546

> <PUBCHEM_MOLECULAR_FORMULA>
C23H22ClN3O2

> <PUBCHEM_MOLECULAR_WEIGHT>
407.9

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC(C)CCC(=O)CC1C2=CC=CC=C2C(=O)N1C3=NC4=C(C=C3)C=CC(=N4)Cl

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC(C)CCC(=O)CC1C2=CC=CC=C2C(=O)N1C3=NC4=C(C=C3)C=CC(=N4)Cl

> <PUBCHEM_CACTVS_TPSA>
63.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
407.1400546

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
29

> <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  18  8
16  23  8
17  19  8
18  20  8
19  20  8
23  24  8
24  26  8
25  26  8
26  27  8
27  28  8
28  29  8
5  16  8
5  25  8
6  25  8
6  29  8
7  8  3
9  10  8
9  17  8

$$$$