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

Systemtic Name: 5-azanyl-2-[(4-iodophenyl)methyl]-4-methyl-1H-pyrazol-3-one Openeye Name: 5-amino-2-[(4-iodophenyl)methyl]-4-methyl-1H-pyrazol-3-one CAS Name: 5-amino-2-[(4-iodophenyl)methyl]-4-methyl-1H-pyrazol-3-one IUPAC Name: 5-amino-2-[(4-iodophenyl)methyl]-4-methyl-1H-pyrazol-3-one Traditional Name: 5-amino-2-(4-iodobenzyl)-4-methyl-3-pyrazolin-3-one Formula: C11H12IN3O MolecularWeight: 329.13695

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NN(C1=O)CC2=CC=C(C=C2)I)N

Isomeric SMILES

CC1=C(NN(C1=O)CC2=CC=C(C=C2)I)N

InChI

InChI=1S/C11H12IN3O/c1-7-10(13)14-15(11(7)16)6-8-2-4-9(12)5-3-8/h2-5,14H,6,13H2,1H3