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

Systemtic Name: N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-2-iodanyl-3-methyl-benzamide Openeye Name: N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-2-iodo-3-methyl-benzamide CAS Name: N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-2-iodo-3-methylbenzamide IUPAC Name: N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-iodo-3-methylbenzamide Traditional Name: 2-iodo-N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-3-methyl-benzamide Formula: C19H18IN3O2 MolecularWeight: 447.26959

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1I)C(=O)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C

Isomeric SMILES

CC1=CC=CC(=C1I)C(=O)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C

InChI

InChI=1S/C19H18IN3O2/c1-12-8-7-11-15(16(12)20)18(24)21-17-13(2)22(3)23(19(17)25)14-9-5-4-6-10-14/h4-11H,1-3H3,(H,21,24)