2-(4-chlorophenyl)-3-[6-(2,3,6-trimethylphenoxy)hexyl]quinazolin-4-one

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H31ClN2O2/c1-20-12-13-21(2)27(22(20)3)34-19-9-5-4-8-18-32-28(23-14-16-24(30)17-15-23)31-26-11-7-6-10-25(26)29(32)33/h6-7,10-17H,4-5,8-9,18-19H2,1-3H3