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

Systemtic Name: 2-(4-chlorophenyl)-3-[4-(2,3,6-trimethylphenoxy)butyl]quinazolin-4-one Openeye Name: 2-(4-chlorophenyl)-3-[4-(2,3,6-trimethylphenoxy)butyl]quinazolin-4-one CAS Name: 2-(4-chlorophenyl)-3-[4-(2,3,6-trimethylphenoxy)butyl]-4-quinazolinone IUPAC Name: 2-(4-chlorophenyl)-3-[4-(2,3,6-trimethylphenoxy)butyl]quinazolin-4-one Traditional Name: 2-(4-chlorophenyl)-3-[4-(2,3,6-trimethylphenoxy)butyl]quinazolin-4-one Formula: C27H27ClN2O2 MolecularWeight: 446.96848

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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