N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-(2-iodanylphenyl)prop-2-enamide

Systemtic Name: N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-(2-iodanylphenyl)prop-2-enamide Openeye Name: N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-3-(2-iodophenyl)prop-2-enamide CAS Name: N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-3-(2-iodophenyl)-2-propenamide IUPAC Name: N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(2-iodophenyl)prop-2-enamide Traditional Name: 3-(2-iodophenyl)-N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)acrylamide Formula: C20H18IN3O2 MolecularWeight: 459.28029

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C=CC3=CC=CC=C3I

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C=CC3=CC=CC=C3I

InChI

InChI=1S/C20H18IN3O2/c1-14-19(20(26)24(23(14)2)16-9-4-3-5-10-16)22-18(25)13-12-15-8-6-7-11-17(15)21/h3-13H,1-2H3,(H,22,25)