(E)-3-(3-bromanyl-5-methoxy-4-propoxy-phenyl)-2-(6-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile

Systemtic Name: (E)-3-(3-bromanyl-5-methoxy-4-propoxy-phenyl)-2-(6-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile Openeye Name: (E)-3-(3-bromo-5-methoxy-4-propoxy-phenyl)-2-(6-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile CAS Name: (E)-3-(3-bromo-5-methoxy-4-propoxyphenyl)-2-(6-methyl-1H-benzimidazol-2-yl)-2-propenenitrile IUPAC Name: (E)-3-(3-bromo-5-methoxy-4-propoxyphenyl)-2-(6-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile Traditional Name: (E)-3-(3-bromo-5-methoxy-4-propoxy-phenyl)-2-(6-methyl-1H-benzimidazol-2-yl)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=C(N2)C=C(C=C3)C)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1Br)/C=C(\C#N)/C2=NC3=C(N2)C=C(C=C3)C)OC

InChI

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