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

Systemtic Name: (E)-2-(1H-benzimidazol-2-yl)-3-(3-bromanyl-5-methoxy-4-propan-2-yloxy-phenyl)prop-2-enenitrile Openeye Name: (E)-2-(1H-benzimidazol-2-yl)-3-(3-bromo-4-isopropoxy-5-methoxy-phenyl)prop-2-enenitrile CAS Name: (E)-2-(1H-benzimidazol-2-yl)-3-(3-bromo-5-methoxy-4-propan-2-yloxyphenyl)-2-propenenitrile IUPAC Name: (E)-2-(1H-benzimidazol-2-yl)-3-(3-bromo-5-methoxy-4-propan-2-yloxyphenyl)prop-2-enenitrile Traditional Name: (E)-2-(1H-benzimidazol-2-yl)-3-(3-bromo-4-isopropoxy-5-methoxy-phenyl)acrylonitrile Formula: C20H18BrN3O2 MolecularWeight: 412.27982

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C(C=C1Br)C=C(C#N)C2=NC3=CC=CC=C3N2)OC

Isomeric SMILES

CC(C)OC1=C(C=C(C=C1Br)/C=C(\C#N)/C2=NC3=CC=CC=C3N2)OC

InChI

InChI=1S/C20H18BrN3O2/c1-12(2)26-19-15(21)9-13(10-18(19)25-3)8-14(11-22)20-23-16-6-4-5-7-17(16)24-20/h4-10,12H,1-3H3,(H,23,24)/b14-8+