Chem
J-GLOBAL ID：200907070108119959   Nikkaji number：J2.176.157E

N-[4α-[2-[4-Bromo-2-(trifluoromethoxy)phenyl]ethylamino]cyclohexane-1α-yl]-N′,N′-dimethylquinazoline-2,4-diamine

N-[4α-[2-[4-ブロモ-2-(トリフルオロメトキシ)フェニル]エチルアミノ]シクロヘキサン-1α-イル]-N′,N′-ジメチルキナゾリン-2,4-ジアミン
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： C25H29BrF3N5O
Molecular formula furigana： C25-H29-BR-F3-N5-O
Molecular weight： 552.440
InChI： InChI=1S/C25H29BrF3N5O/c1-34(2)23-20-5-3-4-6-21(20)32-24(33-23)31-19-11-9-18(10-12-19)30-14-13-16-7-8-17(26)15-22(16)35-25(27,28)29/h3-8,15,18-19,30H,9-14H2,1-2H3,(H,31,32,33)/t18-,19+
InChI key： FWKVXHBRMCTKHZ-KDURUIRLSA-N
SMILES： CN(C)c1nc(N[C@@H]2CC[C@@H](CC2)NCCc2ccc(Br)cc2OC(F)(F)F)nc2ccccc12
Systematic name  (3)：
  • N-[4α-[2-[4-ブロモ-2-(トリフルオロメトキシ)フェニル]エチルアミノ]シクロヘキサン-1α-イル]-N′,N′-ジメチルキナゾリン-2,4-ジアミン
  • N4,N4-ジメチル-N2-[(1s,4s)-4-({2-[4-ブロモ-2-(トリフルオロメトキシ)フェニル]エチル}アミノ)シクロヘキシル]キナゾリン-2,4-ジアミン
  • N4,N4-dimethyl-N2-[(1s,4s)-4-({2-[4-bromo-2-(trifluoromethoxy)phenyl]ethyl}amino)cyclohexyl]quinazoline-2,4-diamine
Other name (1)：
  • N-[4α-[2-[4-Bromo-2-(trifluoromethoxy)phenyl]ethylamino]cyclohexane-1α-yl]-N′,N′-dimethylquinazoline-2,4-diamine
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