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

Systemtic Name: 3-[6-(2-bromanyl-4,6-dimethyl-phenoxy)hexyl]-2-(4-methoxyphenyl)quinazolin-4-one Openeye Name: 3-[6-(2-bromo-4,6-dimethyl-phenoxy)hexyl]-2-(4-methoxyphenyl)quinazolin-4-one CAS Name: 3-[6-(2-bromo-4,6-dimethylphenoxy)hexyl]-2-(4-methoxyphenyl)-4-quinazolinone IUPAC Name: 3-[6-(2-bromo-4,6-dimethylphenoxy)hexyl]-2-(4-methoxyphenyl)quinazolin-4-one Traditional Name: 3-[6-(2-bromo-4,6-dimethyl-phenoxy)hexyl]-2-(4-methoxyphenyl)quinazolin-4-one Formula: C29H31BrN2O3 MolecularWeight: 535.47204

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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)OC)C

Isomeric SMILES

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

InChI

InChI=1S/C29H31BrN2O3/c1-20-18-21(2)27(25(30)19-20)35-17-9-5-4-8-16-32-28(22-12-14-23(34-3)15-13-22)31-26-11-7-6-10-24(26)29(32)33/h6-7,10-15,18-19H,4-5,8-9,16-17H2,1-3H3