(E)-3-(3-bromanyl-5-methoxy-4-propoxy-phenyl)-2-(1-methylbenzimidazol-2-yl)prop-2-enenitrile

Systemtic Name: (E)-3-(3-bromanyl-5-methoxy-4-propoxy-phenyl)-2-(1-methylbenzimidazol-2-yl)prop-2-enenitrile Openeye Name: (E)-3-(3-bromo-5-methoxy-4-propoxy-phenyl)-2-(1-methylbenzimidazol-2-yl)prop-2-enenitrile CAS Name: (E)-3-(3-bromo-5-methoxy-4-propoxyphenyl)-2-(1-methyl-2-benzimidazolyl)-2-propenenitrile IUPAC Name: (E)-3-(3-bromo-5-methoxy-4-propoxyphenyl)-2-(1-methylbenzimidazol-2-yl)prop-2-enenitrile Traditional Name: (E)-3-(3-bromo-5-methoxy-4-propoxy-phenyl)-2-(1-methylbenzimidazol-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=CC=CC=C3N2C)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1Br)/C=C(\C#N)/C2=NC3=CC=CC=C3N2C)OC

InChI

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