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

Systemtic Name: (E)-2-(1H-benzimidazol-2-yl)-3-(3-bromanyl-5-ethoxy-4-propoxy-phenyl)prop-2-enenitrile Openeye Name: (E)-2-(1H-benzimidazol-2-yl)-3-(3-bromo-5-ethoxy-4-propoxy-phenyl)prop-2-enenitrile CAS Name: (E)-2-(1H-benzimidazol-2-yl)-3-(3-bromo-5-ethoxy-4-propoxyphenyl)-2-propenenitrile IUPAC Name: (E)-2-(1H-benzimidazol-2-yl)-3-(3-bromo-5-ethoxy-4-propoxyphenyl)prop-2-enenitrile Traditional Name: (E)-2-(1H-benzimidazol-2-yl)-3-(3-bromo-5-ethoxy-4-propoxy-phenyl)acrylonitrile Formula: C21H20BrN3O2 MolecularWeight: 426.3064

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1Br)C=C(C#N)C2=NC3=CC=CC=C3N2)OCC

Isomeric SMILES

CCCOC1=C(C=C(C=C1Br)/C=C(\C#N)/C2=NC3=CC=CC=C3N2)OCC

InChI

InChI=1S/C21H20BrN3O2/c1-3-9-27-20-16(22)11-14(12-19(20)26-4-2)10-15(13-23)21-24-17-7-5-6-8-18(17)25-21/h5-8,10-12H,3-4,9H2,1-2H3,(H,24,25)/b15-10+