3-[(4-bromophenyl)methylamino]-2-(4-butylphenyl)quinazolin-4-one

Systemtic Name: 3-[(4-bromophenyl)methylamino]-2-(4-butylphenyl)quinazolin-4-one Openeye Name: 3-[(4-bromophenyl)methylamino]-2-(4-butylphenyl)quinazolin-4-one CAS Name: 3-[(4-bromophenyl)methylamino]-2-(4-butylphenyl)-4-quinazolinone IUPAC Name: 3-[(4-bromophenyl)methylamino]-2-(4-butylphenyl)quinazolin-4-one Traditional Name: 3-[(4-bromobenzyl)amino]-2-(4-butylphenyl)quinazolin-4-one Formula: C25H24BrN3O MolecularWeight: 462.38156

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H24BrN3O/c1-2-3-6-18-9-13-20(14-10-18)24-28-23-8-5-4-7-22(23)25(30)29(24)27-17-19-11-15-21(26)16-12-19/h4-5,7-16,27H,2-3,6,17H2,1H3