3-[(E)-2-(6-bromanyl-1,3-benzodioxol-5-yl)ethenyl]-1-phenyl-pyrido[1,2-a]benzimidazole-4-carbonitrile

Systemtic Name: 3-[(E)-2-(6-bromanyl-1,3-benzodioxol-5-yl)ethenyl]-1-phenyl-pyrido[1,2-a]benzimidazole-4-carbonitrile Openeye Name: 3-[(E)-2-(6-bromo-1,3-benzodioxol-5-yl)vinyl]-1-phenyl-pyrido[1,2-a]benzimidazole-4-carbonitrile CAS Name: 3-[(E)-2-(6-bromo-1,3-benzodioxol-5-yl)ethenyl]-1-phenyl-4-pyrido[1,2-a]benzimidazolecarbonitrile IUPAC Name: 3-[(E)-2-(6-bromo-1,3-benzodioxol-5-yl)ethenyl]-1-phenylpyrido[1,2-a]benzimidazole-4-carbonitrile Traditional Name: 3-[(E)-2-(6-bromo-1,3-benzodioxol-5-yl)vinyl]-1-phenyl-pyrido[1,2-a]benzimidazole-4-carbonitrile Formula: C27H16BrN3O2 MolecularWeight: 494.33884

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)C=CC3=C(C4=NC5=CC=CC=C5N4C(=C3)C6=CC=CC=C6)C#N)Br

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)/C=C/C3=C(C4=NC5=CC=CC=C5N4C(=C3)C6=CC=CC=C6)C#N)Br

InChI

InChI=1S/C27H16BrN3O2/c28-21-14-26-25(32-16-33-26)13-19(21)11-10-18-12-24(17-6-2-1-3-7-17)31-23-9-5-4-8-22(23)30-27(31)20(18)15-29/h1-14H,16H2/b11-10+