46904932
  -OEChem-05072405232D

 73 76  0     1  0  0  0  0  0999 V2000
    7.1962    0.0021    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3021   -4.7767    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.9979    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    1.0021    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.4979    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -4.4979    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.4979    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.5021    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.0021    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.5981   -0.4979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -1.9979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.4979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -2.9979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.9979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.4979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -3.4979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.0021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8712   -5.0857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5622   -6.0367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5622   -6.0367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2532   -5.0857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.9979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.9979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.5021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    3.0021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.9979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.4979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    4.0021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    4.5021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    4.5021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    5.5021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9561    3.9674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    5.5021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    6.0021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9561    6.0367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8622    4.4813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8622    5.5229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    0.3121    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3860    0.0847    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9875   -0.6056    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8067   -2.1056    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4082   -1.4153    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5856   -2.8902    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9841   -3.5805    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6728   -3.6056    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2742   -2.9153    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2520    1.5847    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8535    0.8944    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4376   -5.3379    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1812   -4.5488    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4974   -6.6534    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1686   -6.1657    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9557   -6.1657    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6270   -6.6534    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8441   -2.9979    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -3.6179    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0841   -2.9979    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7932    2.8121    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4082    2.4195    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8067    3.1098    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -1.4610    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -2.3079    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -2.5348    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4860   -0.4979    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.1221    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2460   -0.4979    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7932    4.1921    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9490    3.3475    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7932    5.8121    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    6.6221    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9490    6.6567    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3979    4.1692    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3979    5.8350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  2  0  0  0  0
  2 21  2  0  0  0  0
  3 23  2  0  0  0  0
  4 24  2  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  5 14  1  0  0  0  0
  6 16  1  0  0  0  0
  6 18  1  0  0  0  0
  6 21  1  0  0  0  0
  7 23  1  0  0  0  0
  7 26  1  0  0  0  0
  7 27  1  0  0  0  0
  8 24  1  0  0  0  0
  8 25  1  0  0  0  0
  8 58  1  0  0  0  0
  9 10  1  0  0  0  0
  9 12  1  0  0  0  0
  9 17  1  0  0  0  0
  9 38  1  0  0  0  0
 10 15  1  0  0  0  0
 10 39  1  0  0  0  0
 10 40  1  0  0  0  0
 11 13  1  0  0  0  0
 11 41  1  0  0  0  0
 11 42  1  0  0  0  0
 13 16  1  0  0  0  0
 13 43  1  0  0  0  0
 13 44  1  0  0  0  0
 14 15  2  0  0  0  0
 14 22  1  0  0  0  0
 15 23  1  0  0  0  0
 16 45  1  0  0  0  0
 16 46  1  0  0  0  0
 17 24  1  0  0  0  0
 17 47  1  0  0  0  0
 17 48  1  0  0  0  0
 18 19  1  0  0  0  0
 18 49  1  0  0  0  0
 18 50  1  0  0  0  0
 19 20  1  0  0  0  0
 19 51  1  0  0  0  0
 19 52  1  0  0  0  0
 20 21  1  0  0  0  0
 20 53  1  0  0  0  0
 20 54  1  0  0  0  0
 22 55  1  0  0  0  0
 22 56  1  0  0  0  0
 22 57  1  0  0  0  0
 25 28  1  0  0  0  0
 25 59  1  0  0  0  0
 25 60  1  0  0  0  0
 26 61  1  0  0  0  0
 26 62  1  0  0  0  0
 26 63  1  0  0  0  0
 27 64  1  0  0  0  0
 27 65  1  0  0  0  0
 27 66  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  2  0  0  0  0
 29 31  1  0  0  0  0
 29 32  2  0  0  0  0
 30 33  1  0  0  0  0
 30 67  1  0  0  0  0
 31 34  1  0  0  0  0
 31 35  2  0  0  0  0
 32 36  1  0  0  0  0
 32 68  1  0  0  0  0
 33 34  2  0  0  0  0
 33 69  1  0  0  0  0
 34 70  1  0  0  0  0
 35 37  1  0  0  0  0
 35 71  1  0  0  0  0
 36 37  2  0  0  0  0
 36 72  1  0  0  0  0
 37 73  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
46904932

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
914

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
9

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB7uAAAAAAAAAAAAAAAAAAAAWAAAAAwYIAAAAAAAADBUAAAHgAQAAAADQjBmAQyAMPAAACIAiVSUACCAAAgAAAIiIEIBMgIIDKA0RGEIAhglgCIiUcdi8AOgAACAAAQAAAAAAQAACAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N,N,6-trimethyl-3-[2-(1-naphthylmethylamino)-2-oxo-ethyl]-2-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]-3,4-dihydropyridine-5-carboxamide

> <PUBCHEM_IUPAC_CAS_NAME>
N,N,6-trimethyl-3-[2-(1-naphthalenylmethylamino)-2-oxoethyl]-2-oxo-1-[3-(2-oxo-1-pyrrolidinyl)propyl]-3,4-dihydropyridine-5-carboxamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>,<I>N</I>,6-trimethyl-3-[2-(naphthalen-1-ylmethylamino)-2-oxoethyl]-2-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]-3,4-dihydropyridine-5-carboxamide

> <PUBCHEM_IUPAC_NAME>
N,N,6-trimethyl-3-[2-(naphthalen-1-ylmethylamino)-2-oxoethyl]-2-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]-3,4-dihydropyridine-5-carboxamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N,N,6-trimethyl-3-[2-(naphthalen-1-ylmethylamino)-2-oxidanylidene-ethyl]-2-oxidanylidene-1-[3-(2-oxidanylidenepyrrolidin-1-yl)propyl]-3,4-dihydropyridine-5-carboxamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-keto-3-[2-keto-2-(1-naphthylmethylamino)ethyl]-1-[3-(2-ketopyrrolidino)propyl]-N,N,6-trimethyl-3,4-dihydropyridine-5-carboxamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C29H36N4O4/c1-20-25(29(37)31(2)3)17-23(28(36)33(20)16-8-15-32-14-7-13-27(32)35)18-26(34)30-19-22-11-6-10-21-9-4-5-12-24(21)22/h4-6,9-12,23H,7-8,13-19H2,1-3H3,(H,30,34)

> <PUBCHEM_IUPAC_INCHIKEY>
ZKUROJPUNHDJAT-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
1.6

> <PUBCHEM_EXACT_MASS>
504.27365564

> <PUBCHEM_MOLECULAR_FORMULA>
C29H36N4O4

> <PUBCHEM_MOLECULAR_WEIGHT>
504.6

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=C(CC(C(=O)N1CCCN2CCCC2=O)CC(=O)NCC3=CC=CC4=CC=CC=C43)C(=O)N(C)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=C(CC(C(=O)N1CCCN2CCCC2=O)CC(=O)NCC3=CC=CC4=CC=CC=C43)C(=O)N(C)C

> <PUBCHEM_CACTVS_TPSA>
90

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
504.27365564

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
37

> <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>
28  29  8
28  30  8
29  31  8
29  32  8
30  33  8
31  34  8
31  35  8
32  36  8
33  34  8
35  37  8
36  37  8
9  17  3

$$$$