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

Systemtic Name: 3-[[3,4-bis(oxidanyl)phenyl]methyl-phenyl-amino]-2-phenyl-quinazolin-4-one Openeye Name: 3-[N-[(3,4-dihydroxyphenyl)methyl]anilino]-2-phenyl-quinazolin-4-one CAS Name: 3-[N-[(3,4-dihydroxyphenyl)methyl]anilino]-2-phenyl-4-quinazolinone IUPAC Name: 3-[N-[(3,4-dihydroxyphenyl)methyl]anilino]-2-phenylquinazolin-4-one Traditional Name: 2-phenyl-3-(N-protocatechuylanilino)quinazolin-4-one Formula: C27H21N3O3 MolecularWeight: 435.47394

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=O)N2N(CC4=CC(=C(C=C4)O)O)C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=O)N2N(CC4=CC(=C(C=C4)O)O)C5=CC=CC=C5

InChI

InChI=1S/C27H21N3O3/c31-24-16-15-19(17-25(24)32)18-29(21-11-5-2-6-12-21)30-26(20-9-3-1-4-10-20)28-23-14-8-7-13-22(23)27(30)33/h1-17,31-32H,18H2