(6E)-6-[[[3-(1H-benzimidazol-2-yl)phenyl]amino]methylidene]-2-bromanyl-4-methyl-cyclohexa-2,4-dien-1-one

Systemtic Name: (6E)-6-[[[3-(1H-benzimidazol-2-yl)phenyl]amino]methylidene]-2-bromanyl-4-methyl-cyclohexa-2,4-dien-1-one Openeye Name: (6E)-6-[[3-(1H-benzimidazol-2-yl)anilino]methylene]-2-bromo-4-methyl-cyclohexa-2,4-dien-1-one CAS Name: (6E)-6-[[3-(1H-benzimidazol-2-yl)anilino]methylidene]-2-bromo-4-methyl-1-cyclohexa-2,4-dienone IUPAC Name: (6E)-6-[[3-(1H-benzimidazol-2-yl)anilino]methylidene]-2-bromo-4-methylcyclohexa-2,4-dien-1-one Traditional Name: (6E)-6-[[3-(1H-benzimidazol-2-yl)anilino]methylene]-2-bromo-4-methyl-cyclohexa-2,4-dien-1-one Formula: C21H16BrN3O MolecularWeight: 406.27524

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CNC2=CC=CC(=C2)C3=NC4=CC=CC=C4N3)C(=O)C(=C1)Br

Isomeric SMILES

CC1=C/C(=C\NC2=CC=CC(=C2)C3=NC4=CC=CC=C4N3)/C(=O)C(=C1)Br

InChI

InChI=1S/C21H16BrN3O/c1-13-9-15(20(26)17(22)10-13)12-23-16-6-4-5-14(11-16)21-24-18-7-2-3-8-19(18)25-21/h2-12,23H,1H3,(H,24,25)/b15-12+