2-(5-bromanylpyridin-2-yl)-5-methyl-4-(phenylmethyl)-1H-pyrazol-3-one

Systemtic Name: 2-(5-bromanylpyridin-2-yl)-5-methyl-4-(phenylmethyl)-1H-pyrazol-3-one Openeye Name: 4-benzyl-2-(5-bromo-2-pyridyl)-5-methyl-1H-pyrazol-3-one CAS Name: 2-(5-bromo-2-pyridinyl)-5-methyl-4-(phenylmethyl)-1H-pyrazol-3-one IUPAC Name: 4-benzyl-2-(5-bromopyridin-2-yl)-5-methyl-1H-pyrazol-3-one Traditional Name: 4-benzyl-2-(5-bromo-2-pyridyl)-5-methyl-3-pyrazolin-3-one Formula: C16H14BrN3O MolecularWeight: 344.20586

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1)C2=NC=C(C=C2)Br)CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=O)N(N1)C2=NC=C(C=C2)Br)CC3=CC=CC=C3

InChI

InChI=1S/C16H14BrN3O/c1-11-14(9-12-5-3-2-4-6-12)16(21)20(19-11)15-8-7-13(17)10-18-15/h2-8,10,19H,9H2,1H3