(E)-2-(1H-benzimidazol-2-yl)-3-(5-bromanyl-2-methoxy-phenyl)-1-morpholin-4-yl-prop-2-en-1-one

Systemtic Name: (E)-2-(1H-benzimidazol-2-yl)-3-(5-bromanyl-2-methoxy-phenyl)-1-morpholin-4-yl-prop-2-en-1-one Openeye Name: (E)-2-(1H-benzimidazol-2-yl)-3-(5-bromo-2-methoxy-phenyl)-1-morpholino-prop-2-en-1-one CAS Name: (E)-2-(1H-benzimidazol-2-yl)-3-(5-bromo-2-methoxyphenyl)-1-(4-morpholinyl)-2-propen-1-one IUPAC Name: (E)-2-(1H-benzimidazol-2-yl)-3-(5-bromo-2-methoxyphenyl)-1-morpholin-4-ylprop-2-en-1-one Traditional Name: (E)-2-(1H-benzimidazol-2-yl)-3-(5-bromo-2-methoxy-phenyl)-1-morpholino-prop-2-en-1-one Formula: C21H20BrN3O3 MolecularWeight: 442.3058

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C=C(C2=NC3=CC=CC=C3N2)C(=O)N4CCOCC4

Isomeric SMILES

COC1=C(C=C(C=C1)Br)/C=C(\C2=NC3=CC=CC=C3N2)/C(=O)N4CCOCC4

InChI

InChI=1S/C21H20BrN3O3/c1-27-19-7-6-15(22)12-14(19)13-16(21(26)25-8-10-28-11-9-25)20-23-17-4-2-3-5-18(17)24-20/h2-7,12-13H,8-11H2,1H3,(H,23,24)/b16-13+