2-[3-(3-tert-butyl-5-{[(2,3-dichlorophenyl)carbamoyl]imino}-2,5-dihydro-1H-pyrazol-1-yl)phenyl]acetamide (Q27459912)

2-{3-[(5E)-5-{[(2,3-Dichlorophenyl)carbamoyl]imino}-3-(2-methyl-2-propanyl)-2,5-dihydro-1H-pyrazol-1-yl]phenyl}acetamide (English)

19 October 2016

chemical formula

C₂₂H₂₃Cl₂N₅O₂

1 reference

stated in

RCSB protein data bank

PDB ligand ID

EDD

16 February 2021

canonical SMILES

CC(C)(C)C1=CC(=NC(=O)NC2=CC=CC(=C2Cl)Cl)N(N1)C3=CC=CC(=C3)CC(=O)N

1 reference

2-{3-[(5E)-5-{[(2,3-Dichlorophenyl)carbamoyl]imino}-3-(2-methyl-2-propanyl)-2,5-dihydro-1H-pyrazol-1-yl]phenyl}acetamide (English)

19 October 2016

isomeric SMILES

CC(C)(C)C1=C/C(=N\C(=O)NC2=CC=CC(=C2Cl)Cl)/N(N1)C3=CC=CC(=C3)CC(=O)N

1 reference

2-{3-[(5E)-5-{[(2,3-Dichlorophenyl)carbamoyl]imino}-3-(2-methyl-2-propanyl)-2,5-dihydro-1H-pyrazol-1-yl]phenyl}acetamide (English)

InChI=1S/C22H23Cl2N5O2/c1-22(2,3)17-12-19(27-21(31)26-16-9-5-8-15(23)20(16)24)29(28-17)14-7-4-6-13(10-14)11-18(25)30/h4-10,12,28H,11H2,1-3H3,(H2,25,30)(H,26,31)/b27-19+

19 October 2016

Identifiers

InChI

1 reference

2-{3-[(5E)-5-{[(2,3-Dichlorophenyl)carbamoyl]imino}-3-(2-methyl-2-propanyl)-2,5-dihydro-1H-pyrazol-1-yl]phenyl}acetamide (English)

LLLDJNNXZHGRQO-ZXVVBBHZSA-N

19 October 2016

InChIKey

1 reference

2-{3-[(5E)-5-{[(2,3-Dichlorophenyl)carbamoyl]imino}-3-(2-methyl-2-propanyl)-2,5-dihydro-1H-pyrazol-1-yl]phenyl}acetamide (English)

19 October 2016

1 reference

2-{3-[(5E)-5-{[(2,3-Dichlorophenyl)carbamoyl]imino}-3-(2-methyl-2-propanyl)-2,5-dihydro-1H-pyrazol-1-yl]phenyl}acetamide (English)

19 October 2016

0 references

1 reference

3NNW (English)

19 October 2016

1 reference

3NNX (English)