9820874
  -OEChem-04262420592D

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M  END
> <PUBCHEM_COMPOUND_CID>
9820874

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
519

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
3

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
8

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7MQAAAAAAAAAAAAAAAAAAAWAAAAAwYAAAAAAAAFgBwAAAHwAQAAAADAzhng4+xpLJlACoA7V3VACCiCA1IiAI2aE+bNgOJnrE9ZuHOajk1BHY6ce9ycCegEAAAAAAAAAAgAAAAAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-[3-fluoro-4-[2-(propylamino)ethoxy]phenyl]-4-oxo-1,5,6,7-tetrahydroindole-3-carboxamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-[3-fluoro-4-[2-(propylamino)ethoxy]phenyl]-4-oxo-1,5,6,7-tetrahydroindole-3-carboxamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-[3-fluoro-4-[2-(propylamino)ethoxy]phenyl]-4-oxo-1,5,6,7-tetrahydroindole-3-carboxamide

> <PUBCHEM_IUPAC_NAME>
N-[3-fluoro-4-[2-(propylamino)ethoxy]phenyl]-4-oxo-1,5,6,7-tetrahydroindole-3-carboxamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-[3-fluoranyl-4-[2-(propylamino)ethoxy]phenyl]-4-oxidanylidene-1,5,6,7-tetrahydroindole-3-carboxamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-[3-fluoro-4-[2-(propylamino)ethoxy]phenyl]-4-keto-1,5,6,7-tetrahydroindole-3-carboxamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C20H24FN3O3/c1-2-8-22-9-10-27-18-7-6-13(11-15(18)21)24-20(26)14-12-23-16-4-3-5-17(25)19(14)16/h6-7,11-12,22-23H,2-5,8-10H2,1H3,(H,24,26)

> <PUBCHEM_IUPAC_INCHIKEY>
YZHJISPIBWKWGY-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.2

> <PUBCHEM_EXACT_MASS>
373.18016980

> <PUBCHEM_MOLECULAR_FORMULA>
C20H24FN3O3

> <PUBCHEM_MOLECULAR_WEIGHT>
373.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCCNCCOC1=C(C=C(C=C1)NC(=O)C2=CNC3=C2C(=O)CCC3)F

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCCNCCOC1=C(C=C(C=C1)NC(=O)C2=CNC3=C2C(=O)CCC3)F

> <PUBCHEM_CACTVS_TPSA>
83.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
373.18016980

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
27

> <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  11  8
11  14  8
14  15  8
17  22  8
17  23  8
22  25  8
23  26  8
24  25  8
24  26  8
5  10  8
5  15  8

$$$$