4-[5-bromanyl-1-(6-fluoranyl-4-phenyl-quinazolin-2-yl)indol-3-yl]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[5-bromanyl-1-(6-fluoranyl-4-phenyl-quinazolin-2-yl)indol-3-yl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[5-bromo-1-(6-fluoro-4-phenyl-quinazolin-2-yl)indol-3-yl]-4-oxo-butanoic acid CAS Name: 4-[5-bromo-1-(6-fluoro-4-phenyl-2-quinazolinyl)-3-indolyl]-4-oxobutanoic acid IUPAC Name: 4-[5-bromo-1-(6-fluoro-4-phenylquinazolin-2-yl)indol-3-yl]-4-oxobutanoic acid Traditional Name: 4-[5-bromo-1-(6-fluoro-4-phenyl-quinazolin-2-yl)indol-3-yl]-4-keto-butyric acid Formula: C26H17BrFN3O3 MolecularWeight: 518.333883

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(=NC3=C2C=C(C=C3)F)N4C=C(C5=C4C=CC(=C5)Br)C(=O)CCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(=NC3=C2C=C(C=C3)F)N4C=C(C5=C4C=CC(=C5)Br)C(=O)CCC(=O)O

InChI

InChI=1S/C26H17BrFN3O3/c27-16-6-9-22-18(12-16)20(23(32)10-11-24(33)34)14-31(22)26-29-21-8-7-17(28)13-19(21)25(30-26)15-4-2-1-3-5-15/h1-9,12-14H,10-11H2,(H,33,34)