(4Z,7Z,10Z,13Z,16Z,19Z)-1-[8-Chloro-11-(4-methyl-1-piperazinyl)-5H-dibenzo[b,e][1,4]diazepin-5-yl]-4,7,10,13,16,19-docosahexaen-1-one

CAS Registry Number®

225916-82-5

CAS Name

(4Z,7Z,10Z,13Z,16Z,19Z)-1-[8-Chloro-11-(4-methyl-1-piperazinyl)-5H-dibenzo[b,e][1,4]diazepin-5-yl]-4,7,10,13,16,19-docosahexaen-1-one

Molecular Formula

C40H49ClN4O

Molecular Mass

637.30

Cite this Page

(4Z,7Z,10Z,13Z,16Z,19Z)-1-[8-Chloro-11-(4-methyl-1-piperazinyl)-5H-dibenzo[b,e][1,4]diazepin-5-yl]-4,7,10,13,16,19-docosahexaen-1-one.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=225916-82-5 (retrieved 2024-11-22) (CAS RN: 225916-82-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C40H49ClN4O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-26-39(46)45-37-25-23-22-24-35(37)40(44-31-29-43(2)30-32-44)42-36-33-34(41)27-28-38(36)45/h4-5,7-8,10-11,13-14,16-17,19-20,22-25,27-28,33H,3,6,9,12,15,18,21,26,29-32H2,1-2H3/b5-4-,8-7-,11-10-,14-13-,17-16-,20-19-

InChIKey

InChIKey=RPSJOJIGGSRDMO-JDPCYWKWSA-N

SMILES

C(CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)(=O)N1C=2C(C(=NC=3C1=CC=C(Cl)C3)N4CCN(C)CC4)=CC=CC2

Canonical SMILES

O=C(N1C2=CC=C(Cl)C=C2N=C(C=3C=CC=CC31)N4CCN(C)CC4)CCC=CCC=CCC=CCC=CCC=CCC=CCC

Other Names for this Substance

  • 4,7,10,13,16,19-Docosahexaen-1-one, 1-[8-chloro-11-(4-methyl-1-piperazinyl)-5H-dibenzo[b,e][1,4]diazepin-5-yl]-, (4Z,7Z,10Z,13Z,16Z,19Z)-
  • 5H-Dibenzo[b,e][1,4]diazepine, 8-chloro-11-(4-methyl-1-piperazinyl)-5-[(4Z,7Z,10Z,13Z,16Z,19Z)-1-oxo-4,7,10,13,16,19-docosahexaenyl]-
  • (4Z,7Z,10Z,13Z,16Z,19Z)-1-[8-Chloro-11-(4-methyl-1-piperazinyl)-5H-dibenzo[b,e][1,4]diazepin-5-yl]-4,7,10,13,16,19-docosahexaen-1-one

CAS INSIGHTSTM
Targeted protein degrader structure, illustration