53300809
  -OEChem-04252406052D

 49 51  0     1  0  0  0  0  0999 V2000
    3.5546    1.6106    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3147    1.3318    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7115    1.1106    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4025    0.1595    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0206    0.1595    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5827   -1.6682    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2115   -0.4283    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.0046    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1237    1.9196    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.8147    2.8706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8147    2.8706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5057    1.9196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7115    1.1106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3147    0.3318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0748    2.2286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4487   -0.1682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2993    1.9196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4487   -1.1682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2938    1.8150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8816    2.6241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4782   -2.6627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6691   -1.2615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8761    2.5195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000   -2.8706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4212    2.9995    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7499    3.4872    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8795    3.4872    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2083    2.9995    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5268   -0.2508    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9253    0.4395    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2664    1.6389    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6645    2.4202    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8832    2.8182    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2366    0.4144    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8381   -0.2759    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    2.5156    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7421    2.1914    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6608   -1.7508    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0593   -1.0605    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1229    1.2191    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8511    1.5433    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0525    3.2200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3244    2.8959    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9389   -3.0776    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5402   -0.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8113    1.9029    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4927    2.4547    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9410    3.1361    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2478   -3.4370    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  2  0  0  0  0
  2  9  1  0  0  0  0
  2 12  1  0  0  0  0
  2 14  1  0  0  0  0
  3  5  1  0  0  0  0
  3 13  1  0  0  0  0
  3 17  1  0  0  0  0
  4  7  1  0  0  0  0
  4 13  2  0  0  0  0
  5  7  2  0  0  0  0
  6 18  1  0  0  0  0
  6 21  1  0  0  0  0
  6 22  1  0  0  0  0
  8 22  2  0  0  0  0
  8 24  1  0  0  0  0
  9 10  1  0  0  0  0
  9 13  1  0  0  0  0
  9 15  1  0  0  0  0
 10 11  1  0  0  0  0
 10 25  1  0  0  0  0
 10 26  1  0  0  0  0
 11 12  1  0  0  0  0
 11 27  1  0  0  0  0
 11 28  1  0  0  0  0
 14 16  1  0  0  0  0
 14 29  1  0  0  0  0
 14 30  1  0  0  0  0
 15 31  1  0  0  0  0
 15 32  1  0  0  0  0
 15 33  1  0  0  0  0
 16 18  1  0  0  0  0
 16 34  1  0  0  0  0
 16 35  1  0  0  0  0
 17 19  1  0  0  0  0
 17 36  1  0  0  0  0
 17 37  1  0  0  0  0
 18 38  1  0  0  0  0
 18 39  1  0  0  0  0
 19 20  1  0  0  0  0
 19 40  1  0  0  0  0
 19 41  1  0  0  0  0
 20 23  1  0  0  0  0
 20 42  1  0  0  0  0
 20 43  1  0  0  0  0
 21 24  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
 23 47  1  0  0  0  0
 23 48  1  0  0  0  0
 24 49  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
53300809

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
435

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
8

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7oAAAAAAAAAAAAAAAAAAAAWLFgAAAAAAAAAAAAAAB4AAAHgAIAAAADIjBgwQvkBcMEACqABM3dAAAgC8RkqAdQAE4MACASBIAyAAUAAAIBgKAACAcAQAMAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
5-(1-butyltetrazol-5-yl)-1-(3-imidazol-1-ylpropyl)-5-methyl-pyrrolidin-2-one

> <PUBCHEM_IUPAC_CAS_NAME>
5-(1-butyl-5-tetrazolyl)-1-[3-(1-imidazolyl)propyl]-5-methyl-2-pyrrolidinone

> <PUBCHEM_IUPAC_NAME_MARKUP>
5-(1-butyltetrazol-5-yl)-1-(3-imidazol-1-ylpropyl)-5-methylpyrrolidin-2-one

> <PUBCHEM_IUPAC_NAME>
5-(1-butyltetrazol-5-yl)-1-(3-imidazol-1-ylpropyl)-5-methylpyrrolidin-2-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
5-(1-butyl-1,2,3,4-tetrazol-5-yl)-1-(3-imidazol-1-ylpropyl)-5-methyl-pyrrolidin-2-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
5-(1-butyltetrazol-5-yl)-1-(3-imidazol-1-ylpropyl)-5-methyl-2-pyrrolidone

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C16H25N7O/c1-3-4-11-23-15(18-19-20-23)16(2)7-6-14(24)22(16)10-5-9-21-12-8-17-13-21/h8,12-13H,3-7,9-11H2,1-2H3

> <PUBCHEM_IUPAC_INCHIKEY>
NVZLTUOVCUQQFR-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
0.4

> <PUBCHEM_EXACT_MASS>
331.21205845

> <PUBCHEM_MOLECULAR_FORMULA>
C16H25N7O

> <PUBCHEM_MOLECULAR_WEIGHT>
331.42

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCCCN1C(=NN=N1)C2(CCC(=O)N2CCCN3C=CN=C3)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCCCN1C(=NN=N1)C2(CCC(=O)N2CCCN3C=CN=C3)C

> <PUBCHEM_CACTVS_TPSA>
81.7

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
331.21205845

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
24

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
1

> <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>
21  24  8
3  13  8
3  5  8
4  13  8
4  7  8
5  7  8
6  21  8
6  22  8
8  22  8
8  24  8
9  15  3

$$$$