2-(4-chlorophenyl)-3-[6-(3-propan-2-ylphenoxy)hexyl]quinazolin-4-one

Systemtic Name: 2-(4-chlorophenyl)-3-[6-(3-propan-2-ylphenoxy)hexyl]quinazolin-4-one Openeye Name: 2-(4-chlorophenyl)-3-[6-(3-isopropylphenoxy)hexyl]quinazolin-4-one CAS Name: 2-(4-chlorophenyl)-3-[6-(3-propan-2-ylphenoxy)hexyl]-4-quinazolinone IUPAC Name: 2-(4-chlorophenyl)-3-[6-(3-propan-2-ylphenoxy)hexyl]quinazolin-4-one Traditional Name: 2-(4-chlorophenyl)-3-[6-(3-isopropylphenoxy)hexyl]quinazolin-4-one Formula: C29H31ClN2O2 MolecularWeight: 475.02164

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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