Nutlin 3

CAS Registry Number®

548472-68-0
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CAS Name

Nutlin 3

Molecular Formula

C30H30Cl2N4O4

Molecular Mass

581.49

Cite this Page

Nutlin 3.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=548472-68-0 (retrieved 2024-04-27) (CAS RN: 548472-68-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1/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+/s2

InChIKey

InChIKey=BDUHCSBCVGXTJM-YBFHJACQNA-N

SMILES

C(=O)(N1[C@H]([C@H](N=C1C2=C(OC(C)C)C=C(OC)C=C2)C3=CC=C(Cl)C=C3)C4=CC=C(Cl)C=C4)N5CC(=O)NCC5

Canonical SMILES

O=C1NCCN(C(=O)N2C(=NC(C3=CC=C(Cl)C=C3)C2C4=CC=C(Cl)C=C4)C=5C=CC(OC)=CC5OC(C)C)C1

Other Names for this Substance

  • 2-Piperazinone, 4-[[(4R,5S)-4,5-bis(4-chlorophenyl)-4,5-dihydro-2-[4-methoxy-2-(1-methylethoxy)phenyl]-1H-imidazol-1-yl]carbonyl]-, rel-
  • Piperazinone, 4-[[(4R,5S)-4,5-bis(4-chlorophenyl)-4,5-dihydro-2-[4-methoxy-2-(1-methylethoxy)phenyl]-1H-imidazol-1-yl]carbonyl]-, rel-
  • rel-4-[[(4R,5S)-4,5-Bis(4-chlorophenyl)-4,5-dihydro-2-[4-methoxy-2-(1-methylethoxy)phenyl]-1H-imidazol-1-yl]carbonyl]-2-piperazinone
  • cis-4-[[4,5-Bis(4-chlorophenyl)-2-(2-isopropoxy-4-methoxyphenyl)-4,5-dihydroimidazole-1-yl]carbonyl]piperazin-2-one
  • Nutlin 3

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