53393837
  -OEChem-05231307292D

 68 71  0     0  0  0  0  0  0999 V2000
    5.3903    4.5329    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1482    2.2104    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1027   -4.1555    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8347   -5.1555    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5659    2.9149    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9890    3.5148    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3347    0.3833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0257   -0.5677    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3347    0.3833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6437   -0.5677    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9726    3.8284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9671    3.9330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3848    4.6374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3739    4.8465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7916    5.5510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7861    5.6555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5714    2.8104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4013    4.3239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5823    2.6013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9836    3.6194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1537    2.1059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5878    2.4968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4067    4.2193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    3.3058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7469    1.1923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8347   -1.1555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8347   -2.1555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9687   -2.6555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7007   -2.6555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9687   -3.6555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7007   -3.6555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8347   -4.1555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2366   -3.6555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7007   -5.6555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3370    3.3268    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9239    3.3145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5687    3.7830    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8708    4.9842    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9541    4.1915    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8879    4.4998    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8046    5.2925    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8348    6.1695    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1900    5.7010    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3433    5.9273    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6152    6.2515    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0141    2.5386    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7422    2.2144    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5391    1.9828    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1839    2.4513    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9585    4.5957    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2304    4.9198    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0305    2.2250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7587    1.9008    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4500    4.8378    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8052    4.3693    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4860    3.6525    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5693    2.8598    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2329    1.5390    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3162    0.7463    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4318   -2.3455    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2377   -2.3455    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2377   -3.9655    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5466   -3.1186    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6997   -3.3455    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9266   -4.1925    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3907   -6.1925    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2377   -5.9655    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0107   -5.1186    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 20  2  0  0  0  0
  2 21  2  0  0  0  0
  3 30  1  0  0  0  0
  3 33  1  0  0  0  0
  4 32  1  0  0  0  0
  4 34  1  0  0  0  0
  5 11  1  0  0  0  0
  5 17  1  0  0  0  0
  5 21  1  0  0  0  0
  6 18  1  0  0  0  0
  6 19  1  0  0  0  0
  6 20  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 25  1  0  0  0  0
  8 26  2  0  0  0  0
  9 10  2  0  0  0  0
 10 26  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 35  1  0  0  0  0
 12 14  1  0  0  0  0
 12 36  1  0  0  0  0
 12 37  1  0  0  0  0
 13 15  1  0  0  0  0
 13 38  1  0  0  0  0
 13 39  1  0  0  0  0
 14 16  1  0  0  0  0
 14 40  1  0  0  0  0
 14 41  1  0  0  0  0
 15 16  1  0  0  0  0
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 15 43  1  0  0  0  0
 16 44  1  0  0  0  0
 16 45  1  0  0  0  0
 17 20  1  0  0  0  0
 17 46  1  0  0  0  0
 17 47  1  0  0  0  0
 18 23  1  0  0  0  0
 18 50  1  0  0  0  0
 18 51  1  0  0  0  0
 19 22  1  0  0  0  0
 19 48  1  0  0  0  0
 19 49  1  0  0  0  0
 21 25  1  0  0  0  0
 22 24  1  0  0  0  0
 22 52  1  0  0  0  0
 22 53  1  0  0  0  0
 23 24  1  0  0  0  0
 23 54  1  0  0  0  0
 23 55  1  0  0  0  0
 24 56  1  0  0  0  0
 24 57  1  0  0  0  0
 25 58  1  0  0  0  0
 25 59  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
 28 30  1  0  0  0  0
 28 60  1  0  0  0  0
 29 31  2  0  0  0  0
 29 61  1  0  0  0  0
 30 32  2  0  0  0  0
 31 32  1  0  0  0  0
 31 62  1  0  0  0  0
 33 63  1  0  0  0  0
 33 64  1  0  0  0  0
 33 65  1  0  0  0  0
 34 66  1  0  0  0  0
 34 67  1  0  0  0  0
 34 68  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
53393837

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
670

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
7

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
8

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB7uAAAAAAAAAAAAAAAAAAAAWAAAAA8YIAAAAAAAAABwAAAHgAIAAAADCzBmwYzFocABACqAiNyMACSCAIgoAAciCCujJgNZqKEsTuUMCJkzhGKqAew0BAOIAABAAAAQABAAAIAAACAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-cyclohexyl-2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-N-[2-oxo-2-(1-piperidyl)ethyl]acetamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-cyclohexyl-2-[5-(3,4-dimethoxyphenyl)-2-tetrazolyl]-N-[2-oxo-2-(1-piperidinyl)ethyl]acetamide

> <PUBCHEM_IUPAC_NAME>
N-cyclohexyl-2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-N-(2-oxo-2-piperidin-1-ylethyl)acetamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-cyclohexyl-2-[5-(3,4-dimethoxyphenyl)-1,2,3,4-tetrazol-2-yl]-N-(2-oxidanylidene-2-piperidin-1-yl-ethyl)ethanamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-cyclohexyl-2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-N-(2-keto-2-piperidino-ethyl)acetamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C24H34N6O4/c1-33-20-12-11-18(15-21(20)34-2)24-25-27-30(26-24)17-23(32)29(19-9-5-3-6-10-19)16-22(31)28-13-7-4-8-14-28/h11-12,15,19H,3-10,13-14,16-17H2,1-2H3

> <PUBCHEM_IUPAC_INCHIKEY>
LYQUSYNMLDLOMX-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.5

> <PUBCHEM_EXACT_MASS>
470.264154

> <PUBCHEM_MOLECULAR_FORMULA>
C24H34N6O4

> <PUBCHEM_MOLECULAR_WEIGHT>
470.56456

> <PUBCHEM_OPENEYE_CAN_SMILES>
COC1=C(C=C(C=C1)C2=NN(N=N2)CC(=O)N(CC(=O)N3CCCCC3)C4CCCCC4)OC

> <PUBCHEM_OPENEYE_ISO_SMILES>
COC1=C(C=C(C=C1)C2=NN(N=N2)CC(=O)N(CC(=O)N3CCCCC3)C4CCCCC4)OC

> <PUBCHEM_CACTVS_TPSA>
103

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
470.264154

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
34

> <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>
10  26  8
27  28  8
27  29  8
28  30  8
29  31  8
30  32  8
31  32  8
7  8  8
7  9  8
8  26  8
9  10  8

$$$$