2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-[3-[[4-[1,3-bis(oxidanylidene)isoindol-2-yl]-2-oxidanyl-1-[2,4,6-tris(chloranyl)phenyl]pyrazol-3-ylidene]amino]-4-chloranyl-phenyl]butanamide

Systemtic Name: 2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-[3-[[4-[1,3-bis(oxidanylidene)isoindol-2-yl]-2-oxidanyl-1-[2,4,6-tris(chloranyl)phenyl]pyrazol-3-ylidene]amino]-4-chloranyl-phenyl]butanamide Openeye Name: 2-[2,4-bis(1,1-dimethylpropyl)phenoxy]-N-[4-chloro-3-[[4-(1,3-dioxoisoindolin-2-yl)-2-hydroxy-1-(2,4,6-trichlorophenyl)pyrazol-3-ylidene]amino]phenyl]butanamide CAS Name: 2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-[4-chloro-3-[[4-(1,3-dioxo-2-isoindolyl)-2-hydroxy-1-(2,4,6-trichlorophenyl)-3-pyrazolylidene]amino]phenyl]butanamide IUPAC Name: 2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-[4-chloro-3-[[4-(1,3-dioxoisoindol-2-yl)-2-hydroxy-1-(2,4,6-trichlorophenyl)pyrazol-3-ylidene]amino]phenyl]butanamide Traditional Name: N-[4-chloro-3-[[2-hydroxy-4-phthalimido-1-(2,4,6-trichlorophenyl)-3-pyrazolin-3-ylidene]amino]phenyl]-2-(2,4-ditert-amylphenoxy)butyramide Formula: C43H43Cl4N5O5 MolecularWeight: 851.64402

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC(=C(C=C1)Cl)N=C2C(=CN(N2O)C3=C(C=C(C=C3Cl)Cl)Cl)N4C(=O)C5=CC=CC=C5C4=O)OC6=C(C=C(C=C6)C(C)(C)CC)C(C)(C)CC

Isomeric SMILES

CCC(C(=O)NC1=CC(=C(C=C1)Cl)N=C2C(=CN(N2O)C3=C(C=C(C=C3Cl)Cl)Cl)N4C(=O)C5=CC=CC=C5C4=O)OC6=C(C=C(C=C6)C(C)(C)CC)C(C)(C)CC

InChI

InChI=1S/C43H43Cl4N5O5/c1-8-35(57-36-18-15-24(42(4,5)9-2)19-29(36)43(6,7)10-3)39(53)48-26-16-17-30(45)33(22-26)49-38-34(51-40(54)27-13-11-12-14-28(27)41(51)55)23-50(52(38)56)37-31(46)20-25(44)21-32(37)47/h11-23,35,56H,8-10H2,1-7H3,(H,48,53)