69761627
  -OEChem-04262400592D

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    7.2641   -2.7327    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3981   -1.2327    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -3.2327    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    8.1301   -1.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -1.7327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.1301   -0.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061   -1.1980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061   -3.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.7118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.7535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8622   -1.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962    0.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8622   -0.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0690    0.9573    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6101    1.1847    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0087    1.8750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0555    1.8750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4540    1.1847    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0087    2.6597    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6101    3.3499    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4540    3.3499    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0555    2.6597    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9306    3.7423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1335    3.7423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9215    0.3750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3200   -0.3153    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9350    0.0773    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -0.6127    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0690   -3.0427    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4643   -3.0656    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    8.9962    0.8873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  3 13  1  0  0  0  0
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  4 18  1  0  0  0  0
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  9 36  1  0  0  0  0
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 23 24  2  0  0  0  0
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M  END
> <PUBCHEM_COMPOUND_CID>
69761627

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
470

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7IAAAAAAAAAAAAAAAAAAAAAAAAAA8YMEAAAAAAACx9AAAHgAYAAAADQjBngQ8wPJqEACoAzV3VACChCA1EiAa+KE4dNgIYPLAlZGUIQhglADIyYcYiICOAAAAAAACAAAAAAAAAAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N'-(cyclohexylmethyl)-N-(3-quinolyl)benzohydrazide

> <PUBCHEM_IUPAC_CAS_NAME>
N'-(cyclohexylmethyl)-N-(3-quinolinyl)benzohydrazide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>&apos;-(cyclohexylmethyl)-<I>N</I>-quinolin-3-ylbenzohydrazide

> <PUBCHEM_IUPAC_NAME>
N'-(cyclohexylmethyl)-N-quinolin-3-ylbenzohydrazide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N'-(cyclohexylmethyl)-N-quinolin-3-yl-benzohydrazide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N'-(cyclohexylmethyl)-N-(3-quinolyl)benzohydrazide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C23H25N3O/c27-23(19-11-5-2-6-12-19)26(25-16-18-9-3-1-4-10-18)21-15-20-13-7-8-14-22(20)24-17-21/h2,5-8,11-15,17-18,25H,1,3-4,9-10,16H2

> <PUBCHEM_IUPAC_INCHIKEY>
YVPPHXDTFBTTQI-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
5.3

> <PUBCHEM_EXACT_MASS>
359.199762429

> <PUBCHEM_MOLECULAR_FORMULA>
C23H25N3O

> <PUBCHEM_MOLECULAR_WEIGHT>
359.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1CCC(CC1)CNN(C2=CC3=CC=CC=C3N=C2)C(=O)C4=CC=CC=C4

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1CCC(CC1)CNN(C2=CC3=CC=CC=C3N=C2)C(=O)C4=CC=CC=C4

> <PUBCHEM_CACTVS_TPSA>
45.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
359.199762429

> <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>
12  14  8
12  15  8
14  17  8
16  19  8
16  20  8
17  18  8
17  21  8
18  22  8
19  25  8
20  26  8
21  23  8
22  24  8
23  24  8
25  27  8
26  27  8
4  15  8
4  18  8

$$$$