18524029
  -OEChem-04192422482D

 49 52  0     1  0  0  0  0  0999 V2000
    6.9209   -4.7605    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.1340    1.8463    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660    1.8463    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6783   -0.9584    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2619   -0.1537    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -0.6537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    0.3463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660    0.8463    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.8660   -1.1537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    3.3463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320    0.3463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320   -0.6537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7071    4.0534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2929    4.0534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    4.7605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.6537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000   -1.5197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    2.3463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6783    0.6510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9889   -1.9090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9674   -2.1152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3211   -2.6532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2781   -3.0657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6318   -3.6038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6103   -3.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7880    0.9289    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3894    0.2386    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4030    1.1563    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4675   -1.6286    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2646   -1.6286    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5728    3.1090    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1455    3.6150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1455    4.4918    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8545    4.4918    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8545    3.6150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4384    5.1989    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5616    5.1989    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.0337    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3800   -0.6537    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.2737    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9631   -1.2097    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1900   -2.0567    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0369   -1.8297    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4030    2.1563    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8709    1.2404    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3815   -1.6537    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7144   -2.5254    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8848   -3.1936    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2177   -4.0652    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 25  1  0  0  0  0
  2 18  2  0  0  0  0
  3  8  1  0  0  0  0
  3 18  1  0  0  0  0
  3 44  1  0  0  0  0
  4  5  1  0  0  0  0
  4 12  1  0  0  0  0
  4 20  1  0  0  0  0
  5 19  2  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  6 16  1  0  0  0  0
  6 17  1  0  0  0  0
  7  8  1  0  0  0  0
  7 26  1  0  0  0  0
  7 27  1  0  0  0  0
  8 11  1  0  0  0  0
  8 28  1  0  0  0  0
  9 12  1  0  0  0  0
  9 29  1  0  0  0  0
  9 30  1  0  0  0  0
 10 13  1  0  0  0  0
 10 14  1  0  0  0  0
 10 18  1  0  0  0  0
 10 31  1  0  0  0  0
 11 12  2  0  0  0  0
 11 19  1  0  0  0  0
 13 15  1  0  0  0  0
 13 32  1  0  0  0  0
 13 33  1  0  0  0  0
 14 15  1  0  0  0  0
 14 34  1  0  0  0  0
 14 35  1  0  0  0  0
 15 36  1  0  0  0  0
 15 37  1  0  0  0  0
 16 38  1  0  0  0  0
 16 39  1  0  0  0  0
 16 40  1  0  0  0  0
 17 41  1  0  0  0  0
 17 42  1  0  0  0  0
 17 43  1  0  0  0  0
 19 45  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
 21 46  1  0  0  0  0
 22 24  2  0  0  0  0
 22 47  1  0  0  0  0
 23 25  2  0  0  0  0
 23 48  1  0  0  0  0
 24 25  1  0  0  0  0
 24 49  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
18524029

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
499

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7IQAAAAAAAAAAAAAAAABgAWAAAAAwYAAAAAAAAFgBwAAAHwAYAAAADyjBngw+wJLIAACqAzV3VACSBCAhggAYmKE4ZJgIIPLA0dGEpAhgngDIyAcYgEAPAAAAAAAAAACAAACACAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-[1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]cyclobutanecarboxamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-[1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]cyclobutanecarboxamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-[1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4<I>H</I>-indazol-4-yl]cyclobutanecarboxamide

> <PUBCHEM_IUPAC_NAME>
N-[1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]cyclobutanecarboxamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-[1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]cyclobutanecarboxamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-[1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]cyclobutanecarboxamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C20H24FN3O/c1-20(2)10-17(23-19(25)13-4-3-5-13)16-12-22-24(18(16)11-20)15-8-6-14(21)7-9-15/h6-9,12-13,17H,3-5,10-11H2,1-2H3,(H,23,25)

> <PUBCHEM_IUPAC_INCHIKEY>
SKRCWORXWKAUJA-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.8

> <PUBCHEM_EXACT_MASS>
341.19034056

> <PUBCHEM_MOLECULAR_FORMULA>
C20H24FN3O

> <PUBCHEM_MOLECULAR_WEIGHT>
341.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1(CC(C2=C(C1)N(N=C2)C3=CC=C(C=C3)F)NC(=O)C4CCC4)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1(CC(C2=C(C1)N(N=C2)C3=CC=C(C=C3)F)NC(=O)C4CCC4)C

> <PUBCHEM_CACTVS_TPSA>
46.9

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
341.19034056

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
25

> <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>
11  12  8
11  19  8
20  21  8
20  22  8
21  23  8
22  24  8
23  25  8
24  25  8
8  3  3
4  12  8
4  5  8
5  19  8

$$$$