55677494
  -OEChem-05132421132D

 48 50  0     0  0  0  0  0  0999 V2000
    3.7320    3.7215    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    4.7215    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    0.7215    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.7215    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -1.2785    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.0327   -2.2730    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8418   -0.8717    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.5109   -1.6149    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.2215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    1.7215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    3.2215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.7215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    3.7215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    3.2215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.2215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -0.7785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    0.2215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0109   -2.4809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4176   -3.3944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    3.2215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8298   -4.2035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4121   -3.4990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    3.7215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    5.2215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2366   -5.1170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8189   -4.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2311   -5.2215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8067    1.6139    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4082    2.3041    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    3.5315    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.1015    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6592    0.4115    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611    1.9115    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4516   -0.6708    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8501   -1.3611    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4675    2.7466    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2646    2.7466    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2132   -4.1386    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7766   -2.9974    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    4.2585    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    4.0315    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900    3.1846    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6401    4.6846    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    5.5315    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0201    5.7585    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8721   -5.6186    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4355   -4.4773    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4833   -5.7879    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  1  0  0  0  0
  1 20  1  0  0  0  0
  2 13  1  0  0  0  0
  2 24  1  0  0  0  0
  3 17  2  0  0  0  0
  4 10  1  0  0  0  0
  4 17  1  0  0  0  0
  4 32  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 16  1  0  0  0  0
  6 18  2  0  0  0  0
  7  8  2  0  0  0  0
  8 18  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
  9 12  1  0  0  0  0
 10 28  1  0  0  0  0
 10 29  1  0  0  0  0
 11 13  1  0  0  0  0
 11 30  1  0  0  0  0
 12 15  2  0  0  0  0
 12 31  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 33  1  0  0  0  0
 16 17  1  0  0  0  0
 16 34  1  0  0  0  0
 16 35  1  0  0  0  0
 18 19  1  0  0  0  0
 19 21  2  0  0  0  0
 19 22  1  0  0  0  0
 20 23  1  0  0  0  0
 20 36  1  0  0  0  0
 20 37  1  0  0  0  0
 21 25  1  0  0  0  0
 21 38  1  0  0  0  0
 22 26  2  0  0  0  0
 22 39  1  0  0  0  0
 23 40  1  0  0  0  0
 23 41  1  0  0  0  0
 23 42  1  0  0  0  0
 24 43  1  0  0  0  0
 24 44  1  0  0  0  0
 24 45  1  0  0  0  0
 25 27  2  0  0  0  0
 25 46  1  0  0  0  0
 26 27  1  0  0  0  0
 26 47  1  0  0  0  0
 27 48  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
55677494

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
461

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
8

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7sAAAAAAAAAAAAAAAAAAAAWAAAAAwYAAAAAAAAAAB0AAAHgAYAAAADAThmwYzFobABACqAiNyMACSCAIgoAAciKCujJgNZqKEsRuWOCrk3hGKqAew0BIOIAABAAAAQABAAAIAAACAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-[(4-ethoxy-3-methoxy-phenyl)methyl]-2-(5-phenyltetrazol-2-yl)acetamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-(5-phenyl-2-tetrazolyl)acetamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-[(4-ethoxy-3-methoxyphenyl)methyl]-2-(5-phenyltetrazol-2-yl)acetamide

> <PUBCHEM_IUPAC_NAME>
N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-(5-phenyltetrazol-2-yl)acetamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-[(4-ethoxy-3-methoxy-phenyl)methyl]-2-(5-phenyl-1,2,3,4-tetrazol-2-yl)ethanamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-(4-ethoxy-3-methoxy-benzyl)-2-(5-phenyltetrazol-2-yl)acetamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C19H21N5O3/c1-3-27-16-10-9-14(11-17(16)26-2)12-20-18(25)13-24-22-19(21-23-24)15-7-5-4-6-8-15/h4-11H,3,12-13H2,1-2H3,(H,20,25)

> <PUBCHEM_IUPAC_INCHIKEY>
WENMEOLQHGODAH-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3

> <PUBCHEM_EXACT_MASS>
367.16443955

> <PUBCHEM_MOLECULAR_FORMULA>
C19H21N5O3

> <PUBCHEM_MOLECULAR_WEIGHT>
367.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCOC1=C(C=C(C=C1)CNC(=O)CN2N=C(N=N2)C3=CC=CC=C3)OC

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCOC1=C(C=C(C=C1)CNC(=O)CN2N=C(N=N2)C3=CC=CC=C3)OC

> <PUBCHEM_CACTVS_TPSA>
91.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
367.16443955

> <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>
11  13  8
12  15  8
13  14  8
14  15  8
19  21  8
19  22  8
21  25  8
22  26  8
25  27  8
26  27  8
5  6  8
5  7  8
6  18  8
7  8  8
8  18  8
9  11  8
9  12  8

$$$$