N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3,4,5-tris(iodanyl)benzamide

Systemtic Name: N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3,4,5-tris(iodanyl)benzamide Openeye Name: N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-3,4,5-triiodo-benzamide CAS Name: N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-3,4,5-triiodobenzamide IUPAC Name: N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3,4,5-triiodobenzamide Traditional Name: 3,4,5-triiodo-N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)benzamide Formula: C18H14I3N3O2 MolecularWeight: 685.03607

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=CC(=C(C(=C3)I)I)I

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=CC(=C(C(=C3)I)I)I

InChI

InChI=1S/C18H14I3N3O2/c1-10-16(18(26)24(23(10)2)12-6-4-3-5-7-12)22-17(25)11-8-13(19)15(21)14(20)9-11/h3-9H,1-2H3,(H,22,25)