Chem
J-GLOBAL ID：200907016355190793   Nikkaji number：J2.492.420C

Nutlin-3a

ヌトリン3a
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： C30H30Cl2N4O4
Molecular formula furigana： C30-H30-CL2-N4-O4
Molecular weight： 581.490
InChI： InChI=1S/C30H30Cl2N4O4/c1-18(2)40-25-16-23(39-3)12-13-24(25)29-34-27(19-4-8-21(31)9-5-19)28(20-6-10-22(32)11-7-20)36(29)30(38)35-15-14-33-26(37)17-35/h4-13,16,18,27-28H,14-15,17H2,1-3H3,(H,33,37)/t27-,28+/m0/s1
InChI key： BDUHCSBCVGXTJM-WUFINQPMSA-N
SMILES： COc1ccc(C2=N[C@H]([C@H](N2C(=O)N2CCNC(=O)C2)c2ccc(Cl)cc2)c2ccc(Cl)cc2)c(OC(C)C)c1
Systematic name  (4)：
  • 4-[[(4S,5R)-4,5-ビス(4-クロロフェニル)-4,5-ジヒドロ-2-[4-メトキシ-2-(1-メチルエトキシ)フェニル]-1H-イミダゾール-1-イル]カルボニル]ピペラジン-2-オン
  • 4-[[(4S)-4β,5β-ジ(4-クロロフェニル)-4,5-ジヒドロ-2-[4-メトキシ-2-(イソプロポキシ)フェニル]-1H-イミダゾール-1-イル]カルボニル]ピペラジン-2-オン
  • 4-[(4S,5R)-4,5-ビス(4-クロロフェニル)-2-[4-メトキシ-2-(プロパン-2-イルオキシ)フェニル]-4,5-ジヒドロ-1H-イミダゾール-1-カルボニル]ピペラジン-2-オン
  • 4-[(4S,5R)-4,5-bis(4-chlorophenyl)-2-[4-methoxy-2-(propan-2-yloxy)phenyl]-4,5-dihydro-1H-imidazole-1-carbonyl]piperazin-2-one
Other name (8)：
  • 4-[[(4S,5R)-4,5-Bis(4-chlorophenyl)-4,5-dihydro-2-[4-methoxy-2-(1-methylethoxy)phenyl]-1H-imidazole-1-yl]carbonyl]piperazine-2-one
  • ヌトリン3a
  • Nutlin 3a
  • Nutlin-3a
  • 4-[[(4S)-4β,5β-Di(4-chlorophenyl)-4,5-dihydro-2-[4-methoxy-2-(isopropoxy)phenyl]-1H-imidazole-1-yl]carbonyl]piperazine-2-one
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CAS registry number： 675576-98-4
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