Chem
J-GLOBAL ID：201007000311936116   Nikkaji number：J2.834.610G

1-[3,5-Bis(trifluoromethyl)phenyl]-3-[(S)-[(1α,4α)-5-ethenyl-1-azabicyclo[2.2.2]octane-2α-yl](6-methoxy-4-quinolinyl)methyl]urea

1-[3,5-ビス(トリフルオロメチル)フェニル]-3-[(S)-[(1α,4α)-5-エテニル-1-アザビシクロ[2.2.2]オクタン-2α-イル](6-メトキシ-4-キノリニル)メチル]尿素
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C29H28F6N4O2
Molecular formula furigana： C29-H28-F6-N4-O2
Molecular weight： 578.559
InChI： InChI=1S/C29H28F6N4O2/c1-3-16-15-39-9-7-17(16)10-25(39)26(22-6-8-36-24-5-4-21(41-2)14-23(22)24)38-27(40)37-20-12-18(28(30,31)32)11-19(13-20)29(33,34)35/h3-6,8,11-14,16-17,25-26H,1,7,9-10,15H2,2H3,(H2,37,38,40)/t16?,17-,25-,26-/m0/s1
InChI key： QGLQHRHYJCQTQI-SSUQOBBSSA-N
SMILES： COc1ccc2nccc([C@H](NC(=O)Nc3cc(cc(c3)C(F)(F)F)C(F)(F)F)[C@@H]3C[C@@H]4CCN3CC4C=C)c2c1
Systematic name  (3)：
  • 1-[3,5-ビス(トリフルオロメチル)フェニル]-3-[(S)-[(1α,4α)-5-エテニル-1-アザビシクロ[2.2.2]オクタン-2α-イル](6-メトキシ-4-キノリニル)メチル]尿素
  • 3-[3,5-ビス(トリフルオロメチル)フェニル]-1-[(S)-[(2S,4S)-5-エテニル-1-アザビシクロ[2.2.2]オクタン-2-イル](6-メトキシキノリン-4-イル)メチル]尿素
  • 3-[3,5-bis(trifluoromethyl)phenyl]-1-[(S)-[(2S,4S)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl](6-methoxyquinolin-4-yl)methyl]urea
Other name (1)：
  • 1-[3,5-Bis(trifluoromethyl)phenyl]-3-[(S)-[(1α,4α)-5-ethenyl-1-azabicyclo[2.2.2]octane-2α-yl](6-methoxy-4-quinolinyl)methyl]urea
Thsaurus map：
Thesaurus Map

Return to Previous Page

TOP

BOTTOM