(E)-2-(1H-benzimidazol-2-yl)-3-[3-bromanyl-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]prop-2-enenitrile

Systemtic Name: (E)-2-(1H-benzimidazol-2-yl)-3-[3-bromanyl-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]prop-2-enenitrile Openeye Name: (E)-2-(1H-benzimidazol-2-yl)-3-[3-bromo-5-methoxy-4-(1-naphthylmethoxy)phenyl]prop-2-enenitrile CAS Name: (E)-2-(1H-benzimidazol-2-yl)-3-[3-bromo-5-methoxy-4-(1-naphthalenylmethoxy)phenyl]-2-propenenitrile IUPAC Name: (E)-2-(1H-benzimidazol-2-yl)-3-[3-bromo-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]prop-2-enenitrile Traditional Name: (E)-2-(1H-benzimidazol-2-yl)-3-[3-bromo-5-methoxy-4-(1-naphthylmethoxy)phenyl]acrylonitrile Formula: C28H20BrN3O2 MolecularWeight: 510.3813

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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=CC5=CC=CC=C54

Isomeric SMILES

COC1=C(C(=CC(=C1)/C=C(\C#N)/C2=NC3=CC=CC=C3N2)Br)OCC4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C28H20BrN3O2/c1-33-26-15-18(13-21(16-30)28-31-24-11-4-5-12-25(24)32-28)14-23(29)27(26)34-17-20-9-6-8-19-7-2-3-10-22(19)20/h2-15H,17H2,1H3,(H,31,32)/b21-13+