4,4'-{cyclohexa-2,5-diene-1,4-diylidenebis[(E)methylylidene(E)diazene-2,1-diyl]}bis[N-(2-chlorophenyl)-4-oxobutanamide] (Q27462565)

4,4'-{2,5-Cyclohexadiene-1,4-diylidenebis[(E)methylylidene(E)-2,1-diazenediyl]}bis[N-(2-chlorophenyl)-4-oxobutanamide] (English)

19 October 2016

chemical formula

C₂₈H₂₄Cl₂N₆O₄

1 reference

stated in

RCSB protein data bank

PDB ligand ID

LJZ

16 February 2021

canonical SMILES

C1=CC(=C(C=C1)Cl)NC(=O)CCC(=O)N=NC=C2C=CC(=CN=NC(=O)CCC(=O)NC3=C(C=CC=C3)Cl)C=C2

1 reference

4,4'-{2,5-Cyclohexadiene-1,4-diylidenebis[(E)methylylidene(E)-2,1-diazenediyl]}bis[N-(2-chlorophenyl)-4-oxobutanamide] (English)

19 October 2016

isomeric SMILES

C1=CC(=C(C=C1)Cl)NC(=O)CCC(=O)/N=N/C=C2C=CC(=C/N=N/C(=O)CCC(=O)NC3=C(C=CC=C3)Cl)C=C2

1 reference

4,4'-{2,5-Cyclohexadiene-1,4-diylidenebis[(E)methylylidene(E)-2,1-diazenediyl]}bis[N-(2-chlorophenyl)-4-oxobutanamide] (English)

InChI=1S/C28H24Cl2N6O4/c29-21-5-1-3-7-23(21)33-25(37)13-15-27(39)35-31-17-19-9-11-20(12-10-19)18-32-36-28(40)16-14-26(38)34-24-8-4-2-6-22(24)30/h1-12,17-18H,13-16H2,(H,33,37)(H,34,38)/b19-17-,20-18-,35-31+,36-32+

19 October 2016

Identifiers

InChI

1 reference

4,4'-{2,5-Cyclohexadiene-1,4-diylidenebis[(E)methylylidene(E)-2,1-diazenediyl]}bis[N-(2-chlorophenyl)-4-oxobutanamide] (English)

HTJQQXMFDMUXSX-MDQGHDFKSA-N

19 October 2016

InChIKey

1 reference

4,4'-{2,5-Cyclohexadiene-1,4-diylidenebis[(E)methylylidene(E)-2,1-diazenediyl]}bis[N-(2-chlorophenyl)-4-oxobutanamide] (English)

19 October 2016

1 reference

4,4'-{2,5-Cyclohexadiene-1,4-diylidenebis[(E)methylylidene(E)-2,1-diazenediyl]}bis[N-(2-chlorophenyl)-4-oxobutanamide] (English)

19 October 2016

0 references

1 reference

3MLB (English)