5-azanyl-2-[(4-iodophenyl)methyl]-1H-pyrazol-3-one

Systemtic Name: 5-azanyl-2-[(4-iodophenyl)methyl]-1H-pyrazol-3-one Openeye Name: 5-amino-2-[(4-iodophenyl)methyl]-1H-pyrazol-3-one CAS Name: 5-amino-2-[(4-iodophenyl)methyl]-1H-pyrazol-3-one IUPAC Name: 5-amino-2-[(4-iodophenyl)methyl]-1H-pyrazol-3-one Traditional Name: 5-amino-2-(4-iodobenzyl)-3-pyrazolin-3-one Formula: C10H10IN3O MolecularWeight: 315.11037

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CN2C(=O)C=C(N2)N)I

Isomeric SMILES

C1=CC(=CC=C1CN2C(=O)C=C(N2)N)I

InChI

InChI=1S/C10H10IN3O/c11-8-3-1-7(2-4-8)6-14-10(15)5-9(12)13-14/h1-5,13H,6,12H2