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

Systemtic Name: (E)-2-(1H-benzimidazol-2-yl)-3-[3-bromanyl-5-methoxy-4-(2-methylpropoxy)phenyl]prop-2-enenitrile Openeye Name: (E)-2-(1H-benzimidazol-2-yl)-3-(3-bromo-4-isobutoxy-5-methoxy-phenyl)prop-2-enenitrile CAS Name: (E)-2-(1H-benzimidazol-2-yl)-3-[3-bromo-5-methoxy-4-(2-methylpropoxy)phenyl]-2-propenenitrile IUPAC Name: (E)-2-(1H-benzimidazol-2-yl)-3-[3-bromo-5-methoxy-4-(2-methylpropoxy)phenyl]prop-2-enenitrile Traditional Name: (E)-2-(1H-benzimidazol-2-yl)-3-(3-bromo-4-isobutoxy-5-methoxy-phenyl)acrylonitrile Formula: C21H20BrN3O2 MolecularWeight: 426.3064

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=C(C=C(C=C1Br)C=C(C#N)C2=NC3=CC=CC=C3N2)OC

Isomeric SMILES

CC(C)COC1=C(C=C(C=C1Br)/C=C(\C#N)/C2=NC3=CC=CC=C3N2)OC

InChI

InChI=1S/C21H20BrN3O2/c1-13(2)12-27-20-16(22)9-14(10-19(20)26-3)8-15(11-23)21-24-17-6-4-5-7-18(17)25-21/h4-10,13H,12H2,1-3H3,(H,24,25)/b15-8+