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

Systemtic Name: 3-[(5-bromanyl-2-oxidanyl-phenyl)methylamino]-2-(4-butylphenyl)quinazolin-4-one Openeye Name: 3-[(5-bromo-2-hydroxy-phenyl)methylamino]-2-(4-butylphenyl)quinazolin-4-one CAS Name: 3-[(5-bromo-2-hydroxyphenyl)methylamino]-2-(4-butylphenyl)-4-quinazolinone IUPAC Name: 3-[(5-bromo-2-hydroxyphenyl)methylamino]-2-(4-butylphenyl)quinazolin-4-one Traditional Name: 3-[(5-bromo-2-hydroxy-benzyl)amino]-2-(4-butylphenyl)quinazolin-4-one Formula: C25H24BrN3O2 MolecularWeight: 478.38096

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=O)N2NCC4=C(C=CC(=C4)Br)O

Isomeric SMILES

CCCCC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=O)N2NCC4=C(C=CC(=C4)Br)O

InChI

InChI=1S/C25H24BrN3O2/c1-2-3-6-17-9-11-18(12-10-17)24-28-22-8-5-4-7-21(22)25(31)29(24)27-16-19-15-20(26)13-14-23(19)30/h4-5,7-15,27,30H,2-3,6,16H2,1H3