2-(4-chlorophenyl)-3-[5-(2,4-dimethylphenoxy)pentyl]quinazolin-4-one

Systemtic Name: 2-(4-chlorophenyl)-3-[5-(2,4-dimethylphenoxy)pentyl]quinazolin-4-one Openeye Name: 2-(4-chlorophenyl)-3-[5-(2,4-dimethylphenoxy)pentyl]quinazolin-4-one CAS Name: 2-(4-chlorophenyl)-3-[5-(2,4-dimethylphenoxy)pentyl]-4-quinazolinone IUPAC Name: 2-(4-chlorophenyl)-3-[5-(2,4-dimethylphenoxy)pentyl]quinazolin-4-one Traditional Name: 2-(4-chlorophenyl)-3-[5-(2,4-dimethylphenoxy)pentyl]quinazolin-4-one Formula: C27H27ClN2O2 MolecularWeight: 446.96848

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCCCCCN2C(=NC3=CC=CC=C3C2=O)C4=CC=C(C=C4)Cl)C

Isomeric SMILES

CC1=CC(=C(C=C1)OCCCCCN2C(=NC3=CC=CC=C3C2=O)C4=CC=C(C=C4)Cl)C

InChI

InChI=1S/C27H27ClN2O2/c1-19-10-15-25(20(2)18-19)32-17-7-3-6-16-30-26(21-11-13-22(28)14-12-21)29-24-9-5-4-8-23(24)27(30)31/h4-5,8-15,18H,3,6-7,16-17H2,1-2H3