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

Systemtic Name: 5-azanyl-2-[(3-bromanyl-4-chloranyl-phenyl)methyl]-4-methyl-1H-pyrazol-3-one Openeye Name: 5-amino-2-[(3-bromo-4-chloro-phenyl)methyl]-4-methyl-1H-pyrazol-3-one CAS Name: 5-amino-2-[(3-bromo-4-chlorophenyl)methyl]-4-methyl-1H-pyrazol-3-one IUPAC Name: 5-amino-2-[(3-bromo-4-chlorophenyl)methyl]-4-methyl-1H-pyrazol-3-one Traditional Name: 5-amino-2-(3-bromo-4-chloro-benzyl)-4-methyl-3-pyrazolin-3-one Formula: C11H11BrClN3O MolecularWeight: 316.58154

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H11BrClN3O/c1-6-10(14)15-16(11(6)17)5-7-2-3-9(13)8(12)4-7/h2-4,15H,5,14H2,1H3