2-(2-iodanylethyl)-1-methyl-5-phenyl-pyrazol-3-one

Systemtic Name: 2-(2-iodanylethyl)-1-methyl-5-phenyl-pyrazol-3-one Openeye Name: 2-(2-iodoethyl)-1-methyl-5-phenyl-pyrazol-3-one CAS Name: 2-(2-iodoethyl)-1-methyl-5-phenyl-3-pyrazolone IUPAC Name: 2-(2-iodoethyl)-1-methyl-5-phenylpyrazol-3-one Traditional Name: 2-(2-iodoethyl)-1-methyl-5-phenyl-3-pyrazolin-3-one Formula: C12H13IN2O MolecularWeight: 328.14889

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC(=O)N1CCI)C2=CC=CC=C2

Isomeric SMILES

CN1C(=CC(=O)N1CCI)C2=CC=CC=C2

InChI

InChI=1S/C12H13IN2O/c1-14-11(10-5-3-2-4-6-10)9-12(16)15(14)8-7-13/h2-6,9H,7-8H2,1H3