71201924
  -OEChem-04192404222D

 44 46  0     1  0  0  0  0  0999 V2000
    2.8660    1.3170    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.1830    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.1830    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0981    2.1830    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.5981    1.3170    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.5981    1.3170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0981    3.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.8170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2320    3.6830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9641    3.6830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.6830    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2320    4.6830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9641    4.6830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.6830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0981    5.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.6830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -4.6830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -5.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6970    2.3435    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7585    0.7181    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7057    0.7064    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1807    1.5290    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.4930    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6951    3.3730    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5010    3.3730    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.0630    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6951    4.9930    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5010    4.9930    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    0.3539    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    0.1270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -0.7199    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0981    5.8030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.8730    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.8730    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -3.4930    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0781   -5.2656    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4766   -4.5754    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -4.6461    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -5.4930    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -5.7200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  2  0  0  0  0
  2  8  1  0  0  0  0
 11  2  1  6  0  0  0
  2 27  1  0  0  0  0
  3 18  1  0  0  0  0
  3 20  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  1  0  0  0
  4 23  1  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  6  0  0  0
  5 24  1  0  0  0  0
  6 25  1  0  0  0  0
  6 26  1  0  0  0  0
  7  9  2  0  0  0  0
  7 10  1  0  0  0  0
  9 12  1  0  0  0  0
  9 28  1  0  0  0  0
 10 13  2  0  0  0  0
 10 29  1  0  0  0  0
 11 14  1  0  0  0  0
 11 15  1  0  0  0  0
 11 30  1  0  0  0  0
 12 16  2  0  0  0  0
 12 31  1  0  0  0  0
 13 16  1  0  0  0  0
 13 32  1  0  0  0  0
 14 17  1  0  0  0  0
 14 18  2  0  0  0  0
 15 33  1  0  0  0  0
 15 34  1  0  0  0  0
 15 35  1  0  0  0  0
 16 36  1  0  0  0  0
 17 19  2  0  0  0  0
 17 37  1  0  0  0  0
 18 38  1  0  0  0  0
 19 20  1  0  0  0  0
 19 39  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 40  1  0  0  0  0
 21 41  1  0  0  0  0
 22 42  1  0  0  0  0
 22 43  1  0  0  0  0
 22 44  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
71201924

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
378

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7IAAAAAAAAAAAAAAAGAAAAAAAAAA8QAAAAAAAAAABwAAAHgAQAAAADSjBngQ+gJLIEACoAzV3VACCgCAxAiAI2KE4ZJgIIPLA0ZGEIAhglgDIyAcYiMCOgAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(1S,2S)-N-[(1S)-1-(6-ethyl-3-pyridyl)ethyl]-2-phenyl-cyclopropanecarboxamide

> <PUBCHEM_IUPAC_CAS_NAME>
(1S,2S)-N-[(1S)-1-(6-ethyl-3-pyridinyl)ethyl]-2-phenyl-1-cyclopropanecarboxamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
(1<I>S</I>,2<I>S</I>)-<I>N</I>-[(1<I>S</I>)-1-(6-ethylpyridin-3-yl)ethyl]-2-phenylcyclopropane-1-carboxamide

> <PUBCHEM_IUPAC_NAME>
(1S,2S)-N-[(1S)-1-(6-ethylpyridin-3-yl)ethyl]-2-phenylcyclopropane-1-carboxamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(1S,2S)-N-[(1S)-1-(6-ethylpyridin-3-yl)ethyl]-2-phenyl-cyclopropane-1-carboxamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(1S,2S)-N-[(1S)-1-(6-ethyl-3-pyridyl)ethyl]-2-phenyl-cyclopropanecarboxamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C19H22N2O/c1-3-16-10-9-15(12-20-16)13(2)21-19(22)18-11-17(18)14-7-5-4-6-8-14/h4-10,12-13,17-18H,3,11H2,1-2H3,(H,21,22)/t13-,17+,18-/m0/s1

> <PUBCHEM_IUPAC_INCHIKEY>
WNZLCEFWJKSNLP-VHSSKADRSA-N

> <PUBCHEM_XLOGP3_AA>
3

> <PUBCHEM_EXACT_MASS>
294.173213330

> <PUBCHEM_MOLECULAR_FORMULA>
C19H22N2O

> <PUBCHEM_MOLECULAR_WEIGHT>
294.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCC1=NC=C(C=C1)C(C)NC(=O)C2CC2C3=CC=CC=C3

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCC1=NC=C(C=C1)[C@H](C)NC(=O)[C@H]2C[C@@H]2C3=CC=CC=C3

> <PUBCHEM_CACTVS_TPSA>
42

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
294.173213330

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
22

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
3

> <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  13  8
12  16  8
13  16  8
14  17  8
14  18  8
17  19  8
19  20  8
11  2  6
3  18  8
3  20  8
4  7  5
5  8  6
7  10  8
7  9  8
9  12  8

$$$$