3-[4-(2-bromanyl-4,6-dimethyl-phenoxy)butyl]-2-(4-methoxyphenyl)quinazolin-4-one

Systemtic Name: 3-[4-(2-bromanyl-4,6-dimethyl-phenoxy)butyl]-2-(4-methoxyphenyl)quinazolin-4-one Openeye Name: 3-[4-(2-bromo-4,6-dimethyl-phenoxy)butyl]-2-(4-methoxyphenyl)quinazolin-4-one CAS Name: 3-[4-(2-bromo-4,6-dimethylphenoxy)butyl]-2-(4-methoxyphenyl)-4-quinazolinone IUPAC Name: 3-[4-(2-bromo-4,6-dimethylphenoxy)butyl]-2-(4-methoxyphenyl)quinazolin-4-one Traditional Name: 3-[4-(2-bromo-4,6-dimethyl-phenoxy)butyl]-2-(4-methoxyphenyl)quinazolin-4-one Formula: C27H27BrN2O3 MolecularWeight: 507.41888

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)Br)OCCCCN2C(=NC3=CC=CC=C3C2=O)C4=CC=C(C=C4)OC)C

Isomeric SMILES

CC1=CC(=C(C(=C1)Br)OCCCCN2C(=NC3=CC=CC=C3C2=O)C4=CC=C(C=C4)OC)C

InChI

InChI=1S/C27H27BrN2O3/c1-18-16-19(2)25(23(28)17-18)33-15-7-6-14-30-26(20-10-12-21(32-3)13-11-20)29-24-9-5-4-8-22(24)27(30)31/h4-5,8-13,16-17H,6-7,14-15H2,1-3H3