69741977
  -OEChem-05042412452D

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M  END
> <PUBCHEM_COMPOUND_CID>
69741977

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
765

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
10

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB/oYAAAAAAAAAAAAAAAAAAAWAAAAA8YMEAAAAAAFgB9AAAHwAQAAAADCjBnwwz0LfJkACoAydydACCgC2lEqAJmSE4dNiIaLLAnZGUIQholgLIyacYiICOgAAAAAAQACAAAAAAACAAQAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-[1-(1H-benzimidazol-2-yl)-2-[2-(1-piperidylmethyl)phenyl]ethyl]-N-butyl-2,4-difluoro-benzamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-[1-(1H-benzimidazol-2-yl)-2-[2-(1-piperidinylmethyl)phenyl]ethyl]-N-butyl-2,4-difluorobenzamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-[1-(1<I>H</I>-benzimidazol-2-yl)-2-[2-(piperidin-1-ylmethyl)phenyl]ethyl]-<I>N</I>-butyl-2,4-difluorobenzamide

> <PUBCHEM_IUPAC_NAME>
N-[1-(1H-benzimidazol-2-yl)-2-[2-(piperidin-1-ylmethyl)phenyl]ethyl]-N-butyl-2,4-difluorobenzamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-[1-(1H-benzimidazol-2-yl)-2-[2-(piperidin-1-ylmethyl)phenyl]ethyl]-N-butyl-2,4-bis(fluoranyl)benzamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-[1-(1H-benzimidazol-2-yl)-2-[2-(piperidinomethyl)phenyl]ethyl]-N-butyl-2,4-difluoro-benzamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C32H36F2N4O/c1-2-3-19-38(32(39)26-16-15-25(33)21-27(26)34)30(31-35-28-13-7-8-14-29(28)36-31)20-23-11-5-6-12-24(23)22-37-17-9-4-10-18-37/h5-8,11-16,21,30H,2-4,9-10,17-20,22H2,1H3,(H,35,36)

> <PUBCHEM_IUPAC_INCHIKEY>
QHSKNDZEHGFOMW-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
6.6

> <PUBCHEM_EXACT_MASS>
530.28571811

> <PUBCHEM_MOLECULAR_FORMULA>
C32H36F2N4O

> <PUBCHEM_MOLECULAR_WEIGHT>
530.6

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCCCN(C(CC1=CC=CC=C1CN2CCCCC2)C3=NC4=CC=CC=C4N3)C(=O)C5=C(C=C(C=C5)F)F

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCCCN(C(CC1=CC=CC=C1CN2CCCCC2)C3=NC4=CC=CC=C4N3)C(=O)C5=C(C=C(C=C5)F)F

> <PUBCHEM_CACTVS_TPSA>
52.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
530.28571811

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
39

> <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>
14  15  3
16  17  8
16  20  8
17  21  8
20  24  8
21  25  8
24  25  8
26  28  8
26  30  8
28  32  8
29  33  8
29  34  8
30  35  8
32  36  8
33  37  8
34  38  8
35  36  8
37  39  8
38  39  8
6  18  8
6  26  8
7  18  8
7  28  8

$$$$