3-[6-(4-bromanyl-2-chloranyl-phenoxy)hexyl]-2-(4-methoxyphenyl)quinazolin-4-one

Systemtic Name: 3-[6-(4-bromanyl-2-chloranyl-phenoxy)hexyl]-2-(4-methoxyphenyl)quinazolin-4-one Openeye Name: 3-[6-(4-bromo-2-chloro-phenoxy)hexyl]-2-(4-methoxyphenyl)quinazolin-4-one CAS Name: 3-[6-(4-bromo-2-chlorophenoxy)hexyl]-2-(4-methoxyphenyl)-4-quinazolinone IUPAC Name: 3-[6-(4-bromo-2-chlorophenoxy)hexyl]-2-(4-methoxyphenyl)quinazolin-4-one Traditional Name: 3-[6-(4-bromo-2-chloro-phenoxy)hexyl]-2-(4-methoxyphenyl)quinazolin-4-one Formula: C27H26BrClN2O3 MolecularWeight: 541.86394

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=O)N2CCCCCCOC4=C(C=C(C=C4)Br)Cl

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=O)N2CCCCCCOC4=C(C=C(C=C4)Br)Cl

InChI

InChI=1S/C27H26BrClN2O3/c1-33-21-13-10-19(11-14-21)26-30-24-9-5-4-8-22(24)27(32)31(26)16-6-2-3-7-17-34-25-15-12-20(28)18-23(25)29/h4-5,8-15,18H,2-3,6-7,16-17H2,1H3