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

Systemtic Name: (4E)-4-[[(5-bromanylpyridin-2-yl)amino]methylidene]-2-(3,4-dimethylphenyl)-5-methyl-pyrazol-3-one Openeye Name: (4E)-4-[[(5-bromo-2-pyridyl)amino]methylene]-2-(3,4-dimethylphenyl)-5-methyl-pyrazol-3-one CAS Name: (4E)-4-[[(5-bromo-2-pyridinyl)amino]methylidene]-2-(3,4-dimethylphenyl)-5-methyl-3-pyrazolone IUPAC Name: (4E)-4-[[(5-bromopyridin-2-yl)amino]methylidene]-2-(3,4-dimethylphenyl)-5-methylpyrazol-3-one Traditional Name: (4E)-4-[[(5-bromo-2-pyridyl)amino]methylene]-2-(3,4-dimethylphenyl)-5-methyl-2-pyrazolin-3-one Formula: C18H17BrN4O MolecularWeight: 385.25778

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=O)/C(=C/NC3=NC=C(C=C3)Br)/C(=N2)C)C

InChI

InChI=1S/C18H17BrN4O/c1-11-4-6-15(8-12(11)2)23-18(24)16(13(3)22-23)10-21-17-7-5-14(19)9-20-17/h4-10H,1-3H3,(H,20,21)/b16-10+