71040265
  -OEChem-05062409262D

 46 48  0     0  0  0  0  0  0999 V2000
    2.0000   -0.5950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -5.0950    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.5950    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    4.9050    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -4.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    3.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    3.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    3.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    4.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    3.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    5.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -1.7850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -4.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7880   -2.0124    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3894   -2.7027    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3426   -2.7027    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9441   -2.0124    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3894   -3.4873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7880   -4.1776    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9441   -4.1776    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3426   -3.4873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -5.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -5.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.9050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.5950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    0.5950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    2.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    2.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5200    3.9876    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1215    3.2973    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.7850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611    5.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    3.5950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    6.0250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  2  0  0  0  0
  2  6  1  0  0  0  0
  2 34  1  0  0  0  0
  2 35  1  0  0  0  0
  3 11  1  0  0  0  0
  3 12  1  0  0  0  0
  3 36  1  0  0  0  0
  4 22  2  0  0  0  0
  4 23  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5 11  1  0  0  0  0
  5 24  1  0  0  0  0
  6  9  1  0  0  0  0
  6 10  1  0  0  0  0
  6 25  1  0  0  0  0
  7  9  1  0  0  0  0
  7 26  1  0  0  0  0
  7 27  1  0  0  0  0
  8 10  1  0  0  0  0
  8 28  1  0  0  0  0
  8 29  1  0  0  0  0
  9 30  1  0  0  0  0
  9 31  1  0  0  0  0
 10 32  1  0  0  0  0
 10 33  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 13 16  1  0  0  0  0
 13 37  1  0  0  0  0
 14 17  2  0  0  0  0
 14 38  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 15 18  1  0  0  0  0
 16 39  1  0  0  0  0
 17 40  1  0  0  0  0
 18 19  1  0  0  0  0
 18 41  1  0  0  0  0
 18 42  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 20 43  1  0  0  0  0
 21 23  2  0  0  0  0
 21 44  1  0  0  0  0
 22 45  1  0  0  0  0
 23 46  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
71040265

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
365

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7IAAAAAAAAAAAAAAAAAAAAAAAAAA8YIAAAAAAAAABwAAAHgAQAAAADSjBmgQ8wJLIEACoAjV3VACCgCAxAiAI2KE4ZJgIIHLAkZGEIAhglADIyAcYicCeCAAAAAAAAAAQAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
4-amino-N-[4-(4-pyridylmethyl)phenyl]cyclohexanecarboxamide

> <PUBCHEM_IUPAC_CAS_NAME>
4-amino-N-[4-(pyridin-4-ylmethyl)phenyl]-1-cyclohexanecarboxamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
4-amino-<I>N</I>-[4-(pyridin-4-ylmethyl)phenyl]cyclohexane-1-carboxamide

> <PUBCHEM_IUPAC_NAME>
4-amino-N-[4-(pyridin-4-ylmethyl)phenyl]cyclohexane-1-carboxamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
4-azanyl-N-[4-(pyridin-4-ylmethyl)phenyl]cyclohexane-1-carboxamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
4-amino-N-[4-(4-pyridylmethyl)phenyl]cyclohexanecarboxamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C19H23N3O/c20-17-5-3-16(4-6-17)19(23)22-18-7-1-14(2-8-18)13-15-9-11-21-12-10-15/h1-2,7-12,16-17H,3-6,13,20H2,(H,22,23)

> <PUBCHEM_IUPAC_INCHIKEY>
UAHKEZPYSRXBRD-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.2

> <PUBCHEM_EXACT_MASS>
309.184112366

> <PUBCHEM_MOLECULAR_FORMULA>
C19H23N3O

> <PUBCHEM_MOLECULAR_WEIGHT>
309.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1CC(CCC1C(=O)NC2=CC=C(C=C2)CC3=CC=NC=C3)N

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1CC(CCC1C(=O)NC2=CC=C(C=C2)CC3=CC=NC=C3)N

> <PUBCHEM_CACTVS_TPSA>
68

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
309.184112366

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
23

> <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  13  8
12  14  8
13  16  8
14  17  8
15  16  8
15  17  8
19  20  8
19  21  8
20  22  8
21  23  8
4  22  8
4  23  8

$$$$