65986
  -OEChem-04252409432D

 78 81  0     1  0  0  0  0  0999 V2000
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    9.2713    3.0489    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8076   -3.2056    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6285    1.3540    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9176    2.5108    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8763   -1.5782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
> <PUBCHEM_COMPOUND_CID>
65986

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
810

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB7MAAAAAAAAAAAAAAAAAAAAYAAAAA8YIAAAAAAAGDwAAAAHgAQAAAADyjBgAQDAAPAAAAIAAEQEAAAAAAAAAAAAIEIAACAABIAgAAEAAAIFyKAAAEYicCfgAAAAAAAAACQAASAACQAAQAACAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(1S,3aS,3bS,5aR,9aR,9bS,11aS)-N-isopropyl-N-(isopropylcarbamoyl)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinoline-1-carboxamide

> <PUBCHEM_IUPAC_CAS_NAME>
(1S,3aS,3bS,5aR,9aR,9bS,11aS)-6,9a,11a-trimethyl-7-oxo-N-[oxo-(propan-2-ylamino)methyl]-N-propan-2-yl-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinoline-1-carboxamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
(1<I>S</I>,3<I>a</I><I>S</I>,3<I>b</I><I>S</I>,5<I>a</I><I>R</I>,9<I>a</I><I>R</I>,9<I>b</I><I>S</I>,11<I>a</I><I>S</I>)-6,9<I>a</I>,11<I>a</I>-trimethyl-7-oxo-<I>N</I>-propan-2-yl-<I>N</I>-(propan-2-ylcarbamoyl)-2,3,3<I>a</I>,3<I>b</I>,4,5,5<I>a</I>,8,9,9<I>b</I>,10,11-dodecahydro-1<I>H</I>-indeno[5,4-f]quinoline-1-carboxamide

> <PUBCHEM_IUPAC_NAME>
(1S,3aS,3bS,5aR,9aR,9bS,11aS)-6,9a,11a-trimethyl-7-oxo-N-propan-2-yl-N-(propan-2-ylcarbamoyl)-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinoline-1-carboxamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(1S,3aS,3bS,5aR,9aR,9bS,11aS)-6,9a,11a-trimethyl-7-oxidanylidene-N-propan-2-yl-N-(propan-2-ylcarbamoyl)-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinoline-1-carboxamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(1S,3aS,3bS,5aR,9aR,9bS,11aS)-N-isopropyl-N-(isopropylcarbamoyl)-7-keto-6,9a,11a-trimethyl-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinoline-1-carboxamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C27H45N3O3/c1-16(2)28-25(33)30(17(3)4)24(32)21-10-9-19-18-8-11-22-27(6,15-13-23(31)29(22)7)20(18)12-14-26(19,21)5/h16-22H,8-15H2,1-7H3,(H,28,33)/t18-,19-,20-,21+,22+,26-,27+/m0/s1

> <PUBCHEM_IUPAC_INCHIKEY>
WMPQMBUXZHMEFZ-YJPJVVPASA-N

> <PUBCHEM_XLOGP3_AA>
5.2

> <PUBCHEM_EXACT_MASS>
459.34609231

> <PUBCHEM_MOLECULAR_FORMULA>
C27H45N3O3

> <PUBCHEM_MOLECULAR_WEIGHT>
459.7

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC(C)NC(=O)N(C(C)C)C(=O)C1CCC2C1(CCC3C2CCC4C3(CCC(=O)N4C)C)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC(C)NC(=O)N(C(C)C)C(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CCC(=O)N4C)C)C

> <PUBCHEM_CACTVS_TPSA>
69.7

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
459.34609231

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
33

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
7

> <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  36  6
11  22  5
14  24  5
15  42  6
7  34  6
8  35  5
9  21  5

$$$$