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

Systemtic Name: (E)-3-(3-bromanyl-5-methoxy-4-prop-2-enoxy-phenyl)-2-(1-methylbenzimidazol-2-yl)prop-2-enenitrile Openeye Name: (E)-3-(4-allyloxy-3-bromo-5-methoxy-phenyl)-2-(1-methylbenzimidazol-2-yl)prop-2-enenitrile CAS Name: (E)-3-(3-bromo-5-methoxy-4-prop-2-enoxyphenyl)-2-(1-methyl-2-benzimidazolyl)-2-propenenitrile IUPAC Name: (E)-3-(3-bromo-5-methoxy-4-prop-2-enoxyphenyl)-2-(1-methylbenzimidazol-2-yl)prop-2-enenitrile Traditional Name: (E)-3-(4-allyloxy-3-bromo-5-methoxy-phenyl)-2-(1-methylbenzimidazol-2-yl)acrylonitrile Formula: C21H18BrN3O2 MolecularWeight: 424.29052

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N=C1C(=CC3=CC(=C(C(=C3)Br)OCC=C)OC)C#N

Isomeric SMILES

CN1C2=CC=CC=C2N=C1/C(=C/C3=CC(=C(C(=C3)Br)OCC=C)OC)/C#N

InChI

InChI=1S/C21H18BrN3O2/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/h4-8,10-12H,1,9H2,2-3H3/b15-10+