70698654
  -OEChem-05181306002D

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M  END
> <PUBCHEM_COMPOUND_CID>
70698654

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
607

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7MAAAEAAAAAAAAAAAAAAAAWAAAAA8YMEAAAAAAFix9AAAHgBAAAABrAyBngY31rcMHACgAyRjZACCiC0xMqQJ2CA+/LiNb+LE+duUNCptwBfK6jew8P8OIAAhCAEAQCBAAEIQAgCAQAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
8-bromo-3-phenyl-4-(3,4,5-trimethoxyphenyl)imidazo[1,5-a]quinoxaline

> <PUBCHEM_IUPAC_CAS_NAME>
8-bromo-3-phenyl-4-(3,4,5-trimethoxyphenyl)imidazo[1,5-a]quinoxaline

> <PUBCHEM_IUPAC_NAME>
8-bromo-3-phenyl-4-(3,4,5-trimethoxyphenyl)imidazo[1,5-a]quinoxaline

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
8-bromanyl-3-phenyl-4-(3,4,5-trimethoxyphenyl)imidazo[1,5-a]quinoxaline

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
8-bromo-3-phenyl-4-(3,4,5-trimethoxyphenyl)imidazo[1,5-a]quinoxaline

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C25H20BrN3O3/c1-30-20-11-16(12-21(31-2)25(20)32-3)23-24-22(15-7-5-4-6-8-15)27-14-29(24)19-13-17(26)9-10-18(19)28-23/h4-14H,1-3H3

> <PUBCHEM_IUPAC_INCHIKEY>
HBTRQAHYISIPDW-UHFFFAOYSA-N

> <PUBCHEM_EXACT_MASS>
489.068804

> <PUBCHEM_MOLECULAR_FORMULA>
C25H20BrN3O3

> <PUBCHEM_MOLECULAR_WEIGHT>
490.3486

> <PUBCHEM_OPENEYE_CAN_SMILES>
COC1=CC(=CC(=C1OC)OC)C2=NC3=C(C=C(C=C3)Br)N4C2=C(N=C4)C5=CC=CC=C5

> <PUBCHEM_OPENEYE_ISO_SMILES>
COC1=CC(=CC(=C1OC)OC)C2=NC3=C(C=C(C=C3)Br)N4C2=C(N=C4)C5=CC=CC=C5

> <PUBCHEM_CACTVS_TPSA>
57.9

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
489.068804

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
32

> <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  12  8
10  16  8
12  19  8
13  17  8
13  18  8
15  25  8
15  26  8
16  22  8
17  21  8
18  20  8
19  23  8
20  24  8
21  24  8
22  23  8
25  27  8
26  28  8
27  29  8
28  29  8
5  10  8
5  14  8
5  8  8
6  12  8
6  9  8
7  11  8
7  14  8
8  11  8
8  9  8

$$$$