2-(3-tert-butyl-4-oxidanyl-phenoxy)-N-[4-chloranyl-3-[(5-oxidanylidene-1,4-dihydropyrazol-3-yl)-[2,4,6-tris(chloranyl)phenyl]amino]phenyl]tetradecanamide

Systemtic Name: 2-(3-tert-butyl-4-oxidanyl-phenoxy)-N-[4-chloranyl-3-[(5-oxidanylidene-1,4-dihydropyrazol-3-yl)-[2,4,6-tris(chloranyl)phenyl]amino]phenyl]tetradecanamide Openeye Name: 2-(3-tert-butyl-4-hydroxy-phenoxy)-N-[4-chloro-3-(2,4,6-trichloro-N-(5-oxo-1,4-dihydropyrazol-3-yl)anilino)phenyl]tetradecanamide CAS Name: 2-(3-tert-butyl-4-hydroxyphenoxy)-N-[4-chloro-3-(2,4,6-trichloro-N-(5-oxo-1,4-dihydropyrazol-3-yl)anilino)phenyl]tetradecanamide IUPAC Name: 2-(3-tert-butyl-4-hydroxyphenoxy)-N-[4-chloro-3-(2,4,6-trichloro-N-(5-oxo-1,4-dihydropyrazol-3-yl)anilino)phenyl]tetradecanamide Traditional Name: 2-(3-tert-butyl-4-hydroxy-phenoxy)-N-[4-chloro-3-(2,4,6-trichloro-N-(5-keto-2-pyrazolin-3-yl)anilino)phenyl]myristamide Formula: C39H48Cl4N4O4 MolecularWeight: 778.63482

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC(C(=O)NC1=CC(=C(C=C1)Cl)N(C2=NNC(=O)C2)C3=C(C=C(C=C3Cl)Cl)Cl)OC4=CC(=C(C=C4)O)C(C)(C)C

Isomeric SMILES

CCCCCCCCCCCCC(C(=O)NC1=CC(=C(C=C1)Cl)N(C2=NNC(=O)C2)C3=C(C=C(C=C3Cl)Cl)Cl)OC4=CC(=C(C=C4)O)C(C)(C)C

InChI

InChI=1S/C39H48Cl4N4O4/c1-5-6-7-8-9-10-11-12-13-14-15-34(51-27-17-19-33(48)28(23-27)39(2,3)4)38(50)44-26-16-18-29(41)32(22-26)47(35-24-36(49)46-45-35)37-30(42)20-25(40)21-31(37)43/h16-23,34,48H,5-15,24H2,1-4H3,(H,44,50)(H,46,49)