(E)-2-(1H-benzimidazol-2-yl)-3-(5-bromanyl-2-phenylmethoxy-phenyl)prop-2-enenitrile

Systemtic Name: (E)-2-(1H-benzimidazol-2-yl)-3-(5-bromanyl-2-phenylmethoxy-phenyl)prop-2-enenitrile Openeye Name: (E)-2-(1H-benzimidazol-2-yl)-3-(2-benzyloxy-5-bromo-phenyl)prop-2-enenitrile CAS Name: (E)-2-(1H-benzimidazol-2-yl)-3-(5-bromo-2-phenylmethoxyphenyl)-2-propenenitrile IUPAC Name: (E)-2-(1H-benzimidazol-2-yl)-3-(5-bromo-2-phenylmethoxyphenyl)prop-2-enenitrile Traditional Name: (E)-2-(1H-benzimidazol-2-yl)-3-(2-benzoxy-5-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)Br)C=C(C#N)C3=NC4=CC=CC=C4N3

Isomeric SMILES

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

InChI

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