53383138
  -OEChem-04252412202D

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M  END
> <PUBCHEM_COMPOUND_CID>
53383138

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
686

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7sAAAAAAAAAAAAAAAAAAAAAAAAAA8YIEAAAAAAACB0AAAHgAQAAAADKjBmgQ+wJPIEACoAzV3VACCgCAxAiAI2CG4dJgIYPLAlbGUIAhglgDIyAcYiYCOAAAAAAAAACAAAAAAAAAAQAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-tert-butyl-2-(2-oxo-3-phenyl-quinoxalin-1-yl)-2-(4-pyridyl)acetamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-tert-butyl-2-(2-oxo-3-phenyl-1-quinoxalinyl)-2-pyridin-4-ylacetamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-<I>tert</I>-butyl-2-(2-oxo-3-phenylquinoxalin-1-yl)-2-pyridin-4-ylacetamide

> <PUBCHEM_IUPAC_NAME>
N-tert-butyl-2-(2-oxo-3-phenylquinoxalin-1-yl)-2-pyridin-4-ylacetamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-tert-butyl-2-(2-oxidanylidene-3-phenyl-quinoxalin-1-yl)-2-pyridin-4-yl-ethanamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-tert-butyl-2-(2-keto-3-phenyl-quinoxalin-1-yl)-2-(4-pyridyl)acetamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C25H24N4O2/c1-25(2,3)28-23(30)22(18-13-15-26-16-14-18)29-20-12-8-7-11-19(20)27-21(24(29)31)17-9-5-4-6-10-17/h4-16,22H,1-3H3,(H,28,30)

> <PUBCHEM_IUPAC_INCHIKEY>
ZLNZSPXPXHUCDB-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.5

> <PUBCHEM_EXACT_MASS>
412.18992602

> <PUBCHEM_MOLECULAR_FORMULA>
C25H24N4O2

> <PUBCHEM_MOLECULAR_WEIGHT>
412.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC(C)(C)NC(=O)C(C1=CC=NC=C1)N2C3=CC=CC=C3N=C(C2=O)C4=CC=CC=C4

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC(C)(C)NC(=O)C(C1=CC=NC=C1)N2C3=CC=CC=C3N=C(C2=O)C4=CC=CC=C4

> <PUBCHEM_CACTVS_TPSA>
74.7

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
412.18992602

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
31

> <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  19  8
10  20  8
11  16  8
11  18  8
15  17  8
16  21  8
18  23  8
19  25  8
20  26  8
21  24  8
22  27  8
22  28  8
23  24  8
27  29  8
28  30  8
29  31  8
3  11  8
3  15  8
30  31  8
5  16  8
5  17  8
6  25  8
6  26  8
8  9  3

$$$$