5-azanyl-2-[(4-bromanyl-3-chloranyl-phenyl)methyl]-1H-pyrazol-3-one

Systemtic Name: 5-azanyl-2-[(4-bromanyl-3-chloranyl-phenyl)methyl]-1H-pyrazol-3-one Openeye Name: 5-amino-2-[(4-bromo-3-chloro-phenyl)methyl]-1H-pyrazol-3-one CAS Name: 5-amino-2-[(4-bromo-3-chlorophenyl)methyl]-1H-pyrazol-3-one IUPAC Name: 5-amino-2-[(4-bromo-3-chlorophenyl)methyl]-1H-pyrazol-3-one Traditional Name: 5-amino-2-(4-bromo-3-chloro-benzyl)-3-pyrazolin-3-one Formula: C10H9BrClN3O MolecularWeight: 302.55496

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1CN2C(=O)C=C(N2)N)Cl)Br

Isomeric SMILES

C1=CC(=C(C=C1CN2C(=O)C=C(N2)N)Cl)Br

InChI

InChI=1S/C10H9BrClN3O/c11-7-2-1-6(3-8(7)12)5-15-10(16)4-9(13)14-15/h1-4,14H,5,13H2