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

Systemtic Name: 3-[3-(2-bromanyl-4,6-dimethyl-phenoxy)propyl]-2-(4-chlorophenyl)quinazolin-4-one Openeye Name: 3-[3-(2-bromo-4,6-dimethyl-phenoxy)propyl]-2-(4-chlorophenyl)quinazolin-4-one CAS Name: 3-[3-(2-bromo-4,6-dimethylphenoxy)propyl]-2-(4-chlorophenyl)-4-quinazolinone IUPAC Name: 3-[3-(2-bromo-4,6-dimethylphenoxy)propyl]-2-(4-chlorophenyl)quinazolin-4-one Traditional Name: 3-[3-(2-bromo-4,6-dimethyl-phenoxy)propyl]-2-(4-chlorophenyl)quinazolin-4-one Formula: C25H22BrClN2O2 MolecularWeight: 497.81138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)Br)OCCCN2C(=NC3=CC=CC=C3C2=O)C4=CC=C(C=C4)Cl)C

Isomeric SMILES

CC1=CC(=C(C(=C1)Br)OCCCN2C(=NC3=CC=CC=C3C2=O)C4=CC=C(C=C4)Cl)C

InChI

InChI=1S/C25H22BrClN2O2/c1-16-14-17(2)23(21(26)15-16)31-13-5-12-29-24(18-8-10-19(27)11-9-18)28-22-7-4-3-6-20(22)25(29)30/h3-4,6-11,14-15H,5,12-13H2,1-2H3