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

Systemtic Name: 3-[4-(2-tert-butyl-4-methyl-phenoxy)butyl]-2-(4-chlorophenyl)quinazolin-4-one Openeye Name: 3-[4-(2-tert-butyl-4-methyl-phenoxy)butyl]-2-(4-chlorophenyl)quinazolin-4-one CAS Name: 3-[4-(2-tert-butyl-4-methylphenoxy)butyl]-2-(4-chlorophenyl)-4-quinazolinone IUPAC Name: 3-[4-(2-tert-butyl-4-methylphenoxy)butyl]-2-(4-chlorophenyl)quinazolin-4-one Traditional Name: 3-[4-(2-tert-butyl-4-methyl-phenoxy)butyl]-2-(4-chlorophenyl)quinazolin-4-one Formula: C29H31ClN2O2 MolecularWeight: 475.02164

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H31ClN2O2/c1-20-11-16-26(24(19-20)29(2,3)4)34-18-8-7-17-32-27(21-12-14-22(30)15-13-21)31-25-10-6-5-9-23(25)28(32)33/h5-6,9-16,19H,7-8,17-18H2,1-4H3