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

Systemtic Name: 2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-[4-[[4-[(4-methoxyphenyl)diazenyl]-5-oxidanylidene-1-[2,4,6-tris(chloranyl)phenyl]-4H-pyrazol-3-yl]amino]phenyl]butanamide Openeye Name: 2-[2,4-bis(1,1-dimethylpropyl)phenoxy]-N-[4-[[4-(4-methoxyphenyl)azo-5-oxo-1-(2,4,6-trichlorophenyl)-4H-pyrazol-3-yl]amino]phenyl]butanamide CAS Name: 2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-[4-[[4-(4-methoxyphenyl)azo-5-oxo-1-(2,4,6-trichlorophenyl)-4H-pyrazol-3-yl]amino]phenyl]butanamide IUPAC Name: 2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-[4-[[4-[(4-methoxyphenyl)diazenyl]-5-oxo-1-(2,4,6-trichlorophenyl)-4H-pyrazol-3-yl]amino]phenyl]butanamide Traditional Name: 2-(2,4-ditert-amylphenoxy)-N-[4-[[5-keto-4-(4-methoxyphenyl)azo-1-(2,4,6-trichlorophenyl)-2-pyrazolin-3-yl]amino]phenyl]butyramide Formula: C42H47Cl3N6O4 MolecularWeight: 806.21938

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)NC2=NN(C(=O)C2N=NC3=CC=C(C=C3)OC)C4=C(C=C(C=C4Cl)Cl)Cl)OC5=C(C=C(C=C5)C(C)(C)CC)C(C)(C)CC

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)NC2=NN(C(=O)C2N=NC3=CC=C(C=C3)OC)C4=C(C=C(C=C4Cl)Cl)Cl)OC5=C(C=C(C=C5)C(C)(C)CC)C(C)(C)CC

InChI

InChI=1S/C42H47Cl3N6O4/c1-9-34(55-35-21-12-25(41(4,5)10-2)22-31(35)42(6,7)11-3)39(52)47-28-15-13-27(14-16-28)46-38-36(49-48-29-17-19-30(54-8)20-18-29)40(53)51(50-38)37-32(44)23-26(43)24-33(37)45/h12-24,34,36H,9-11H2,1-8H3,(H,46,50)(H,47,52)