5-[5-(4-bromanyl-3,5-dimethoxy-phenyl)-3-prop-2-enyl-imidazol-4-yl]-2-methoxy-aniline

Systemtic Name: 5-[5-(4-bromanyl-3,5-dimethoxy-phenyl)-3-prop-2-enyl-imidazol-4-yl]-2-methoxy-aniline Openeye Name: 5-[3-allyl-5-(4-bromo-3,5-dimethoxy-phenyl)imidazol-4-yl]-2-methoxy-aniline CAS Name: 5-[5-(4-bromo-3,5-dimethoxyphenyl)-3-prop-2-enyl-4-imidazolyl]-2-methoxyaniline IUPAC Name: 5-[5-(4-bromo-3,5-dimethoxyphenyl)-3-prop-2-enylimidazol-4-yl]-2-methoxyaniline Traditional Name: [5-[3-allyl-5-(4-bromo-3,5-dimethoxy-phenyl)imidazol-4-yl]-2-methoxy-phenyl]amine Formula: C21H22BrN3O3 MolecularWeight: 444.32168

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=C(N=CN2CC=C)C3=CC(=C(C(=C3)OC)Br)OC)N

Isomeric SMILES

COC1=C(C=C(C=C1)C2=C(N=CN2CC=C)C3=CC(=C(C(=C3)OC)Br)OC)N

InChI

InChI=1S/C21H22BrN3O3/c1-5-8-25-12-24-20(14-10-17(27-3)19(22)18(11-14)28-4)21(25)13-6-7-16(26-2)15(23)9-13/h5-7,9-12H,1,8,23H2,2-4H3