(E)-2-(1H-benzimidazol-2-yl)-3-(3-bromanyl-4-phenylmethoxy-phenyl)prop-2-enenitrile

Systemtic Name: (E)-2-(1H-benzimidazol-2-yl)-3-(3-bromanyl-4-phenylmethoxy-phenyl)prop-2-enenitrile Openeye Name: (E)-2-(1H-benzimidazol-2-yl)-3-(4-benzyloxy-3-bromo-phenyl)prop-2-enenitrile CAS Name: (E)-2-(1H-benzimidazol-2-yl)-3-(3-bromo-4-phenylmethoxyphenyl)-2-propenenitrile IUPAC Name: (E)-2-(1H-benzimidazol-2-yl)-3-(3-bromo-4-phenylmethoxyphenyl)prop-2-enenitrile Traditional Name: (E)-2-(1H-benzimidazol-2-yl)-3-(4-benzoxy-3-bromo-phenyl)acrylonitrile Formula: C23H16BrN3O MolecularWeight: 430.29664

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=C(C=C(C=C2)C=C(C#N)C3=NC4=CC=CC=C4N3)Br

Isomeric SMILES

C1=CC=C(C=C1)COC2=C(C=C(C=C2)/C=C(\C#N)/C3=NC4=CC=CC=C4N3)Br

InChI

InChI=1S/C23H16BrN3O/c24-19-13-17(10-11-22(19)28-15-16-6-2-1-3-7-16)12-18(14-25)23-26-20-8-4-5-9-21(20)27-23/h1-13H,15H2,(H,26,27)/b18-12+