493117
  -OEChem-05251311012D

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    8.3548    1.9715    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.8080   -4.2309    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -6.1625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    8.0993    0.5792    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2767    2.0541    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3356   -7.5379    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  2  0  0  0  0
  2 17  1  0  0  0  0
  2 23  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3 11  1  0  0  0  0
  4  9  1  0  0  0  0
  4 11  1  0  0  0  0
  4 15  1  0  0  0  0
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  5 29  2  0  0  0  0
  6  8  1  0  0  0  0
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  6 31  1  0  0  0  0
  7  9  1  0  0  0  0
  7 32  1  0  0  0  0
  7 33  1  0  0  0  0
  8 10  1  0  0  0  0
  8 34  1  0  0  0  0
  8 35  1  0  0  0  0
  9 36  1  0  0  0  0
  9 37  1  0  0  0  0
 10 12  1  0  0  0  0
 10 38  1  0  0  0  0
 10 39  1  0  0  0  0
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 12 41  1  0  0  0  0
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 13 18  1  0  0  0  0
 13 19  1  0  0  0  0
 13 20  1  0  0  0  0
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 19 49  1  0  0  0  0
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 20 52  1  0  0  0  0
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 20 54  1  0  0  0  0
 21 26  1  0  0  0  0
 21 55  1  0  0  0  0
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 22 56  1  0  0  0  0
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 24 28  2  0  0  0  0
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 25 58  1  0  0  0  0
 26 59  1  0  0  0  0
 27 60  1  0  0  0  0
 28 29  1  0  0  0  0
 28 61  1  0  0  0  0
 29 62  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
493117

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
497

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
10

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB7MAAAAAAAAAAAAAAAAAAAAWAAAAA8QAAAAAAAAAABwAAAHgAAAAAADgzhmgY/xpMIFACoAjRnVACCiCAxMiAI2CA+fJiMZuLEsZuWOCjsxhPI6CeQwNAPoAAAAAAAAABAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
1-[6-(4-tert-butylphenoxy)hexyl]-3-(3-pyridyl)imidazolidin-2-one

> <PUBCHEM_IUPAC_CAS_NAME>
1-[6-(4-tert-butylphenoxy)hexyl]-3-(3-pyridinyl)-2-imidazolidinone

> <PUBCHEM_IUPAC_NAME>
1-[6-(4-tert-butylphenoxy)hexyl]-3-pyridin-3-ylimidazolidin-2-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
1-[6-(4-tert-butylphenoxy)hexyl]-3-pyridin-3-yl-imidazolidin-2-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
1-[6-(4-tert-butylphenoxy)hexyl]-3-(3-pyridyl)-2-imidazolidinone

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C24H33N3O2/c1-24(2,3)20-10-12-22(13-11-20)29-18-7-5-4-6-15-26-16-17-27(23(26)28)21-9-8-14-25-19-21/h8-14,19H,4-7,15-18H2,1-3H3

> <PUBCHEM_IUPAC_INCHIKEY>
GSWCCHGGRAFTFL-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
4.8

> <PUBCHEM_EXACT_MASS>
395.257277

> <PUBCHEM_MOLECULAR_FORMULA>
C24H33N3O2

> <PUBCHEM_MOLECULAR_WEIGHT>
395.53772

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC(C)(C)C1=CC=C(C=C1)OCCCCCCN2CCN(C2=O)C3=CN=CC=C3

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC(C)(C)C1=CC=C(C=C1)OCCCCCCN2CCN(C2=O)C3=CN=CC=C3

> <PUBCHEM_CACTVS_TPSA>
45.7

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
395.257277

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
29

> <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>
15  24  8
15  25  8
16  21  8
16  22  8
21  26  8
22  27  8
23  26  8
23  27  8
24  28  8
28  29  8
5  25  8
5  29  8

$$$$