4-[[(5-bromanylpyridin-2-yl)amino]methylidene]-5-methyl-2-(4-methylphenyl)pyrazol-3-one

Systemtic Name: 4-[[(5-bromanylpyridin-2-yl)amino]methylidene]-5-methyl-2-(4-methylphenyl)pyrazol-3-one Openeye Name: 4-[[(5-bromo-2-pyridyl)amino]methylene]-5-methyl-2-(p-tolyl)pyrazol-3-one CAS Name: 4-[[(5-bromo-2-pyridinyl)amino]methylidene]-5-methyl-2-(4-methylphenyl)-3-pyrazolone IUPAC Name: 4-[[(5-bromopyridin-2-yl)amino]methylidene]-5-methyl-2-(4-methylphenyl)pyrazol-3-one Traditional Name: 4-[[(5-bromo-2-pyridyl)amino]methylene]-5-methyl-2-(p-tolyl)-2-pyrazolin-3-one Formula: C17H15BrN4O MolecularWeight: 371.2312

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=O)C(=CNC3=NC=C(C=C3)Br)C(=N2)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=O)C(=CNC3=NC=C(C=C3)Br)C(=N2)C

InChI

InChI=1S/C17H15BrN4O/c1-11-3-6-14(7-4-11)22-17(23)15(12(2)21-22)10-20-16-8-5-13(18)9-19-16/h3-10H,1-2H3,(H,19,20)