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

Systemtic Name: 3-[3-(2-tert-butyl-4-methyl-phenoxy)propyl]-2-(4-chlorophenyl)quinazolin-4-one Openeye Name: 3-[3-(2-tert-butyl-4-methyl-phenoxy)propyl]-2-(4-chlorophenyl)quinazolin-4-one CAS Name: 3-[3-(2-tert-butyl-4-methylphenoxy)propyl]-2-(4-chlorophenyl)-4-quinazolinone IUPAC Name: 3-[3-(2-tert-butyl-4-methylphenoxy)propyl]-2-(4-chlorophenyl)quinazolin-4-one Traditional Name: 3-[3-(2-tert-butyl-4-methyl-phenoxy)propyl]-2-(4-chlorophenyl)quinazolin-4-one Formula: C28H29ClN2O2 MolecularWeight: 460.99506

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCCCN2C(=NC3=CC=CC=C3C2=O)C4=CC=C(C=C4)Cl)C(C)(C)C

Isomeric SMILES

CC1=CC(=C(C=C1)OCCCN2C(=NC3=CC=CC=C3C2=O)C4=CC=C(C=C4)Cl)C(C)(C)C

InChI

InChI=1S/C28H29ClN2O2/c1-19-10-15-25(23(18-19)28(2,3)4)33-17-7-16-31-26(20-11-13-21(29)14-12-20)30-24-9-6-5-8-22(24)27(31)32/h5-6,8-15,18H,7,16-17H2,1-4H3