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

Systemtic Name: 6-[[[4-(1H-benzimidazol-2-yl)phenyl]amino]methylidene]-4-bromanyl-2-methoxy-cyclohexa-2,4-dien-1-one Openeye Name: 6-[[4-(1H-benzimidazol-2-yl)anilino]methylene]-4-bromo-2-methoxy-cyclohexa-2,4-dien-1-one CAS Name: 6-[[4-(1H-benzimidazol-2-yl)anilino]methylidene]-4-bromo-2-methoxy-1-cyclohexa-2,4-dienone IUPAC Name: 6-[[4-(1H-benzimidazol-2-yl)anilino]methylidene]-4-bromo-2-methoxycyclohexa-2,4-dien-1-one Traditional Name: 6-[[4-(1H-benzimidazol-2-yl)anilino]methylene]-4-bromo-2-methoxy-cyclohexa-2,4-dien-1-one Formula: C21H16BrN3O2 MolecularWeight: 422.27464

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=CNC2=CC=C(C=C2)C3=NC4=CC=CC=C4N3)C1=O)Br

Isomeric SMILES

COC1=CC(=CC(=CNC2=CC=C(C=C2)C3=NC4=CC=CC=C4N3)C1=O)Br

InChI

InChI=1S/C21H16BrN3O2/c1-27-19-11-15(22)10-14(20(19)26)12-23-16-8-6-13(7-9-16)21-24-17-4-2-3-5-18(17)25-21/h2-12,23H,1H3,(H,24,25)