(E)-2-(1H-benzimidazol-2-yl)-3-(3-bromanyl-5-methoxy-4-phenylmethoxy-phenyl)prop-2-enenitrile

Systemtic Name: (E)-2-(1H-benzimidazol-2-yl)-3-(3-bromanyl-5-methoxy-4-phenylmethoxy-phenyl)prop-2-enenitrile Openeye Name: (E)-2-(1H-benzimidazol-2-yl)-3-(4-benzyloxy-3-bromo-5-methoxy-phenyl)prop-2-enenitrile CAS Name: (E)-2-(1H-benzimidazol-2-yl)-3-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)-2-propenenitrile IUPAC Name: (E)-2-(1H-benzimidazol-2-yl)-3-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)prop-2-enenitrile Traditional Name: (E)-2-(1H-benzimidazol-2-yl)-3-(4-benzoxy-3-bromo-5-methoxy-phenyl)acrylonitrile Formula: C24H18BrN3O2 MolecularWeight: 460.32262

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=C(C#N)C2=NC3=CC=CC=C3N2)Br)OCC4=CC=CC=C4

Isomeric SMILES

COC1=C(C(=CC(=C1)/C=C(\C#N)/C2=NC3=CC=CC=C3N2)Br)OCC4=CC=CC=C4

InChI

InChI=1S/C24H18BrN3O2/c1-29-22-13-17(12-19(25)23(22)30-15-16-7-3-2-4-8-16)11-18(14-26)24-27-20-9-5-6-10-21(20)28-24/h2-13H,15H2,1H3,(H,27,28)/b18-11+