3-[(5-bromanyl-2-oxidanyl-phenyl)methylamino]-2-(3,4-dimethoxyphenyl)quinazolin-4-one

Systemtic Name: 3-[(5-bromanyl-2-oxidanyl-phenyl)methylamino]-2-(3,4-dimethoxyphenyl)quinazolin-4-one Openeye Name: 3-[(5-bromo-2-hydroxy-phenyl)methylamino]-2-(3,4-dimethoxyphenyl)quinazolin-4-one CAS Name: 3-[(5-bromo-2-hydroxyphenyl)methylamino]-2-(3,4-dimethoxyphenyl)-4-quinazolinone IUPAC Name: 3-[(5-bromo-2-hydroxyphenyl)methylamino]-2-(3,4-dimethoxyphenyl)quinazolin-4-one Traditional Name: 3-[(5-bromo-2-hydroxy-benzyl)amino]-2-(3,4-dimethoxyphenyl)quinazolin-4-one Formula: C23H20BrN3O4 MolecularWeight: 482.3266

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NC3=CC=CC=C3C(=O)N2NCC4=C(C=CC(=C4)Br)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC3=CC=CC=C3C(=O)N2NCC4=C(C=CC(=C4)Br)O)OC

InChI

InChI=1S/C23H20BrN3O4/c1-30-20-10-7-14(12-21(20)31-2)22-26-18-6-4-3-5-17(18)23(29)27(22)25-13-15-11-16(24)8-9-19(15)28/h3-12,25,28H,13H2,1-2H3