3-[6-(2-tert-butyl-4-methyl-phenoxy)hexyl]-2-(4-chlorophenyl)quinazolin-4-one

Systemtic Name: 3-[6-(2-tert-butyl-4-methyl-phenoxy)hexyl]-2-(4-chlorophenyl)quinazolin-4-one Openeye Name: 3-[6-(2-tert-butyl-4-methyl-phenoxy)hexyl]-2-(4-chlorophenyl)quinazolin-4-one CAS Name: 3-[6-(2-tert-butyl-4-methylphenoxy)hexyl]-2-(4-chlorophenyl)-4-quinazolinone IUPAC Name: 3-[6-(2-tert-butyl-4-methylphenoxy)hexyl]-2-(4-chlorophenyl)quinazolin-4-one Traditional Name: 3-[6-(2-tert-butyl-4-methyl-phenoxy)hexyl]-2-(4-chlorophenyl)quinazolin-4-one Formula: C31H35ClN2O2 MolecularWeight: 503.0748

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H35ClN2O2/c1-22-13-18-28(26(21-22)31(2,3)4)36-20-10-6-5-9-19-34-29(23-14-16-24(32)17-15-23)33-27-12-8-7-11-25(27)30(34)35/h7-8,11-18,21H,5-6,9-10,19-20H2,1-4H3