3-[6-(2-bromanyl-4,6-dimethyl-phenoxy)hexyl]-2-(4-chlorophenyl)quinazolin-4-one

Systemtic Name: 3-[6-(2-bromanyl-4,6-dimethyl-phenoxy)hexyl]-2-(4-chlorophenyl)quinazolin-4-one Openeye Name: 3-[6-(2-bromo-4,6-dimethyl-phenoxy)hexyl]-2-(4-chlorophenyl)quinazolin-4-one CAS Name: 3-[6-(2-bromo-4,6-dimethylphenoxy)hexyl]-2-(4-chlorophenyl)-4-quinazolinone IUPAC Name: 3-[6-(2-bromo-4,6-dimethylphenoxy)hexyl]-2-(4-chlorophenyl)quinazolin-4-one Traditional Name: 3-[6-(2-bromo-4,6-dimethyl-phenoxy)hexyl]-2-(4-chlorophenyl)quinazolin-4-one Formula: C28H28BrClN2O2 MolecularWeight: 539.89112

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)Br)OCCCCCCN2C(=NC3=CC=CC=C3C2=O)C4=CC=C(C=C4)Cl)C

Isomeric SMILES

CC1=CC(=C(C(=C1)Br)OCCCCCCN2C(=NC3=CC=CC=C3C2=O)C4=CC=C(C=C4)Cl)C

InChI

InChI=1S/C28H28BrClN2O2/c1-19-17-20(2)26(24(29)18-19)34-16-8-4-3-7-15-32-27(21-11-13-22(30)14-12-21)31-25-10-6-5-9-23(25)28(32)33/h5-6,9-14,17-18H,3-4,7-8,15-16H2,1-2H3