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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C)I

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C)I

InChI

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