1802450
  -OEChem-05092423402D

 56 58  0     0  0  0  0  0  0999 V2000
    4.6340    0.7679    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7266    2.2385    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6340   -0.2321    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    2.1340    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3660   -0.2321    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000    3.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    4.7320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    3.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000    4.7320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000    2.1340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5000    1.2680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3660    0.7679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2320    1.2680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5000   -0.7321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5000   -1.7320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7320    2.1340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6340   -3.2320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6340   -2.2320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5000   -3.7320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3660   -2.2320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3660   -3.2320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3253    3.0475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7680   -3.7320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5000   -4.7320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0685    3.7166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9345    3.2166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1200    3.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4750    3.4675    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4750    4.2646    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9174    2.7880    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6077    2.3894    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0826    4.9441    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3923    5.3426    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5250    4.2646    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5250    3.4675    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6077    5.3426    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9174    4.9441    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4174    1.9219    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1077    1.5234    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3100    2.6709    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9030   -0.5421    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7690    0.9579    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0970   -1.9220    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9030   -1.9220    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9030   -3.5420    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7189    3.1764    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4580   -3.1951    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2310   -4.0420    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0780   -4.2690    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8800   -4.7320    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5000   -5.3520    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1200   -4.7320    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0036    4.3332    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5009    3.4688    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  2  0  0  0  0
  2 18  1  0  0  0  0
  2 28  1  0  0  0  0
  3 16  2  0  0  0  0
  4 12  1  0  0  0  0
  4 13  1  0  0  0  0
  4 42  1  0  0  0  0
  5 14  1  0  0  0  0
  5 16  1  0  0  0  0
  5 43  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 12  1  0  0  0  0
  6 29  1  0  0  0  0
  7  9  1  0  0  0  0
  7 30  1  0  0  0  0
  7 31  1  0  0  0  0
  8 10  1  0  0  0  0
  8 32  1  0  0  0  0
  8 33  1  0  0  0  0
  9 11  1  0  0  0  0
  9 34  1  0  0  0  0
  9 35  1  0  0  0  0
 10 11  1  0  0  0  0
 10 36  1  0  0  0  0
 10 37  1  0  0  0  0
 11 38  1  0  0  0  0
 11 39  1  0  0  0  0
 12 40  1  0  0  0  0
 12 41  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 18  1  0  0  0  0
 15 44  1  0  0  0  0
 16 17  1  0  0  0  0
 17 20  2  0  0  0  0
 17 22  1  0  0  0  0
 18 24  2  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
 19 25  1  0  0  0  0
 20 45  1  0  0  0  0
 21 23  1  0  0  0  0
 21 26  1  0  0  0  0
 22 23  2  0  0  0  0
 22 46  1  0  0  0  0
 23 47  1  0  0  0  0
 24 27  1  0  0  0  0
 24 48  1  0  0  0  0
 25 49  1  0  0  0  0
 25 50  1  0  0  0  0
 25 51  1  0  0  0  0
 26 52  1  0  0  0  0
 26 53  1  0  0  0  0
 26 54  1  0  0  0  0
 27 28  2  0  0  0  0
 27 55  1  0  0  0  0
 28 56  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
1802450

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
568

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
6

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7MAAAAAAAAAAAAAAAAAAAASAAAAAwYAAAAAAAAAABwAAAHgAQAAAADQzhmAYyBILABECIAq1S0ACCCAAkIgAIiIGODMgMZjKEtTuWOSjk1hGIqceYiMCOwAACAAAQAACAAAQAACAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-[(E)-1-(cyclohexylmethylcarbamoyl)-2-(2-furyl)vinyl]-3,4-dimethyl-benzamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-[(E)-3-(cyclohexylmethylamino)-1-(2-furanyl)-3-oxoprop-1-en-2-yl]-3,4-dimethylbenzamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-[(<I>E</I>)-3-(cyclohexylmethylamino)-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]-3,4-dimethylbenzamide

> <PUBCHEM_IUPAC_NAME>
N-[(E)-3-(cyclohexylmethylamino)-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]-3,4-dimethylbenzamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-[(E)-3-(cyclohexylmethylamino)-1-(furan-2-yl)-3-oxidanylidene-prop-1-en-2-yl]-3,4-dimethyl-benzamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-[(E)-1-(cyclohexylmethylcarbamoyl)-2-(2-furyl)vinyl]-3,4-dimethyl-benzamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C23H28N2O3/c1-16-10-11-19(13-17(16)2)22(26)25-21(14-20-9-6-12-28-20)23(27)24-15-18-7-4-3-5-8-18/h6,9-14,18H,3-5,7-8,15H2,1-2H3,(H,24,27)(H,25,26)/b21-14+

> <PUBCHEM_IUPAC_INCHIKEY>
LZAJLISPFAKKLE-KGENOOAVSA-N

> <PUBCHEM_XLOGP3_AA>
4.9

> <PUBCHEM_EXACT_MASS>
380.20999276

> <PUBCHEM_MOLECULAR_FORMULA>
C23H28N2O3

> <PUBCHEM_MOLECULAR_WEIGHT>
380.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=C(C=C(C=C1)C(=O)NC(=CC2=CC=CO2)C(=O)NCC3CCCCC3)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=C(C=C(C=C1)C(=O)N/C(=C/C2=CC=CO2)/C(=O)NCC3CCCCC3)C

> <PUBCHEM_CACTVS_TPSA>
71.3

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
380.20999276

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
28

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
1

> <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>
17  20  8
17  22  8
18  24  8
19  20  8
19  21  8
2  18  8
2  28  8
21  23  8
22  23  8
24  27  8
27  28  8

$$$$