4-iodanyl-5-methyl-1,2-diphenyl-pyrazol-3-one

Systemtic Name: 4-iodanyl-5-methyl-1,2-diphenyl-pyrazol-3-one Openeye Name: 4-iodo-5-methyl-1,2-diphenyl-pyrazol-3-one CAS Name: 4-iodo-5-methyl-1,2-diphenyl-3-pyrazolone IUPAC Name: 4-iodo-5-methyl-1,2-diphenylpyrazol-3-one Traditional Name: 4-iodo-5-methyl-1,2-diphenyl-3-pyrazolin-3-one Formula: C16H13IN2O MolecularWeight: 376.19169

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C2=CC=CC=C2)C3=CC=CC=C3)I

Isomeric SMILES

CC1=C(C(=O)N(N1C2=CC=CC=C2)C3=CC=CC=C3)I

InChI

InChI=1S/C16H13IN2O/c1-12-15(17)16(20)19(14-10-6-3-7-11-14)18(12)13-8-4-2-5-9-13/h2-11H,1H3