2-[4-[(E)-2-(6-bromanyl-4-oxidanylidene-1H-quinazolin-2-yl)-2-cyano-ethenyl]-2-methoxy-phenoxy]-N-phenyl-ethanamide

Systemtic Name: 2-[4-[(E)-2-(6-bromanyl-4-oxidanylidene-1H-quinazolin-2-yl)-2-cyano-ethenyl]-2-methoxy-phenoxy]-N-phenyl-ethanamide Openeye Name: 2-[4-[(E)-2-(6-bromo-4-oxo-1H-quinazolin-2-yl)-2-cyano-vinyl]-2-methoxy-phenoxy]-N-phenyl-acetamide CAS Name: 2-[4-[(E)-2-(6-bromo-4-oxo-1H-quinazolin-2-yl)-2-cyanoethenyl]-2-methoxyphenoxy]-N-phenylacetamide IUPAC Name: 2-[4-[(E)-2-(6-bromo-4-oxo-1H-quinazolin-2-yl)-2-cyanoethenyl]-2-methoxyphenoxy]-N-phenylacetamide Traditional Name: 2-[4-[(E)-2-(6-bromo-4-keto-1H-quinazolin-2-yl)-2-cyano-vinyl]-2-methoxy-phenoxy]-N-phenyl-acetamide Formula: C26H19BrN4O4 MolecularWeight: 531.35746

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C(C#N)C2=NC(=O)C3=C(N2)C=CC(=C3)Br)OCC(=O)NC4=CC=CC=C4

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C(\C#N)/C2=NC(=O)C3=C(N2)C=CC(=C3)Br)OCC(=O)NC4=CC=CC=C4

InChI

InChI=1S/C26H19BrN4O4/c1-34-23-12-16(7-10-22(23)35-15-24(32)29-19-5-3-2-4-6-19)11-17(14-28)25-30-21-9-8-18(27)13-20(21)26(33)31-25/h2-13H,15H2,1H3,(H,29,32)(H,30,31,33)/b17-11+