3-[2-[2,4-bis(2-methylbutan-2-yl)phenoxy]ethanoylamino]-N-[4-[(4-methoxyphenyl)diazenyl]-5-oxidanylidene-1-[2,4,6-tris(chloranyl)phenyl]-4H-pyrazol-3-yl]benzamide

Systemtic Name: 3-[2-[2,4-bis(2-methylbutan-2-yl)phenoxy]ethanoylamino]-N-[4-[(4-methoxyphenyl)diazenyl]-5-oxidanylidene-1-[2,4,6-tris(chloranyl)phenyl]-4H-pyrazol-3-yl]benzamide Openeye Name: 3-[[2-[2,4-bis(1,1-dimethylpropyl)phenoxy]acetyl]amino]-N-[4-(4-methoxyphenyl)azo-5-oxo-1-(2,4,6-trichlorophenyl)-4H-pyrazol-3-yl]benzamide CAS Name: 3-[[2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-1-oxoethyl]amino]-N-[4-(4-methoxyphenyl)azo-5-oxo-1-(2,4,6-trichlorophenyl)-4H-pyrazol-3-yl]benzamide IUPAC Name: 3-[[2-[2,4-bis(2-methylbutan-2-yl)phenoxy]acetyl]amino]-N-[4-[(4-methoxyphenyl)diazenyl]-5-oxo-1-(2,4,6-trichlorophenyl)-4H-pyrazol-3-yl]benzamide Traditional Name: 3-[[2-(2,4-ditert-amylphenoxy)acetyl]amino]-N-[5-keto-4-(4-methoxyphenyl)azo-1-(2,4,6-trichlorophenyl)-2-pyrazolin-3-yl]benzamide Formula: C41H43Cl3N6O5 MolecularWeight: 806.17632

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1=CC(=C(C=C1)OCC(=O)NC2=CC=CC(=C2)C(=O)NC3=NN(C(=O)C3N=NC4=CC=C(C=C4)OC)C5=C(C=C(C=C5Cl)Cl)Cl)C(C)(C)CC

Isomeric SMILES

CCC(C)(C)C1=CC(=C(C=C1)OCC(=O)NC2=CC=CC(=C2)C(=O)NC3=NN(C(=O)C3N=NC4=CC=C(C=C4)OC)C5=C(C=C(C=C5Cl)Cl)Cl)C(C)(C)CC

InChI

InChI=1S/C41H43Cl3N6O5/c1-8-40(3,4)25-13-18-33(30(20-25)41(5,6)9-2)55-23-34(51)45-28-12-10-11-24(19-28)38(52)46-37-35(48-47-27-14-16-29(54-7)17-15-27)39(53)50(49-37)36-31(43)21-26(42)22-32(36)44/h10-22,35H,8-9,23H2,1-7H3,(H,45,51)(H,46,49,52)