N-(4-acetamido-5-oxidanylidene-1-phenyl-4-phenylazanyl-pyrazol-3-yl)-2-[3,4,5-tris(chloranyl)phenoxy]ethanamide

Systemtic Name: N-(4-acetamido-5-oxidanylidene-1-phenyl-4-phenylazanyl-pyrazol-3-yl)-2-[3,4,5-tris(chloranyl)phenoxy]ethanamide Openeye Name: N-(4-acetamido-4-anilino-5-oxo-1-phenyl-pyrazol-3-yl)-2-(3,4,5-trichlorophenoxy)acetamide CAS Name: N-(4-acetamido-4-anilino-5-oxo-1-phenyl-3-pyrazolyl)-2-(3,4,5-trichlorophenoxy)acetamide IUPAC Name: N-(4-acetamido-4-anilino-5-oxo-1-phenylpyrazol-3-yl)-2-(3,4,5-trichlorophenoxy)acetamide Traditional Name: N-(4-acetamido-4-anilino-5-keto-1-phenyl-2-pyrazolin-3-yl)-2-(3,4,5-trichlorophenoxy)acetamide Formula: C25H20Cl3N5O4 MolecularWeight: 560.8164

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1(C(=NN(C1=O)C2=CC=CC=C2)NC(=O)COC3=CC(=C(C(=C3)Cl)Cl)Cl)NC4=CC=CC=C4

Isomeric SMILES

CC(=O)NC1(C(=NN(C1=O)C2=CC=CC=C2)NC(=O)COC3=CC(=C(C(=C3)Cl)Cl)Cl)NC4=CC=CC=C4

InChI

InChI=1S/C25H20Cl3N5O4/c1-15(34)30-25(31-16-8-4-2-5-9-16)23(32-33(24(25)36)17-10-6-3-7-11-17)29-21(35)14-37-18-12-19(26)22(28)20(27)13-18/h2-13,31H,14H2,1H3,(H,30,34)(H,29,32,35)