3-[[3,4-bis(oxidanyl)phenyl]methyl-phenyl-amino]-8-bromanyl-2-phenyl-quinazolin-4-one

Systemtic Name: 3-[[3,4-bis(oxidanyl)phenyl]methyl-phenyl-amino]-8-bromanyl-2-phenyl-quinazolin-4-one Openeye Name: 8-bromo-3-[N-[(3,4-dihydroxyphenyl)methyl]anilino]-2-phenyl-quinazolin-4-one CAS Name: 8-bromo-3-[N-[(3,4-dihydroxyphenyl)methyl]anilino]-2-phenyl-4-quinazolinone IUPAC Name: 8-bromo-3-[N-[(3,4-dihydroxyphenyl)methyl]anilino]-2-phenylquinazolin-4-one Traditional Name: 8-bromo-2-phenyl-3-(N-protocatechuylanilino)quinazolin-4-one Formula: C27H20BrN3O3 MolecularWeight: 514.37

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC3=C(C=CC=C3Br)C(=O)N2N(CC4=CC(=C(C=C4)O)O)C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)C2=NC3=C(C=CC=C3Br)C(=O)N2N(CC4=CC(=C(C=C4)O)O)C5=CC=CC=C5

InChI

InChI=1S/C27H20BrN3O3/c28-22-13-7-12-21-25(22)29-26(19-8-3-1-4-9-19)31(27(21)34)30(20-10-5-2-6-11-20)17-18-14-15-23(32)24(33)16-18/h1-16,32-33H,17H2