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

Systemtic Name: 3-[(5-bromanyl-2-fluoranyl-phenyl)methylamino]-2-(4-butylphenyl)quinazolin-4-one Openeye Name: 3-[(5-bromo-2-fluoro-phenyl)methylamino]-2-(4-butylphenyl)quinazolin-4-one CAS Name: 3-[(5-bromo-2-fluorophenyl)methylamino]-2-(4-butylphenyl)-4-quinazolinone IUPAC Name: 3-[(5-bromo-2-fluorophenyl)methylamino]-2-(4-butylphenyl)quinazolin-4-one Traditional Name: 3-[(5-bromo-2-fluoro-benzyl)amino]-2-(4-butylphenyl)quinazolin-4-one Formula: C25H23BrFN3O MolecularWeight: 480.372023

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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)F

Isomeric SMILES

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

InChI

InChI=1S/C25H23BrFN3O/c1-2-3-6-17-9-11-18(12-10-17)24-29-23-8-5-4-7-21(23)25(31)30(24)28-16-19-15-20(26)13-14-22(19)27/h4-5,7-15,28H,2-3,6,16H2,1H3