3-[4-(2,3-dimethylphenoxy)butyl]-2-(4-methoxyphenyl)quinazolin-4-one

Systemtic Name: 3-[4-(2,3-dimethylphenoxy)butyl]-2-(4-methoxyphenyl)quinazolin-4-one Openeye Name: 3-[4-(2,3-dimethylphenoxy)butyl]-2-(4-methoxyphenyl)quinazolin-4-one CAS Name: 3-[4-(2,3-dimethylphenoxy)butyl]-2-(4-methoxyphenyl)-4-quinazolinone IUPAC Name: 3-[4-(2,3-dimethylphenoxy)butyl]-2-(4-methoxyphenyl)quinazolin-4-one Traditional Name: 3-[4-(2,3-dimethylphenoxy)butyl]-2-(4-methoxyphenyl)quinazolin-4-one Formula: C27H28N2O3 MolecularWeight: 428.52282

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H28N2O3/c1-19-9-8-12-25(20(19)2)32-18-7-6-17-29-26(21-13-15-22(31-3)16-14-21)28-24-11-5-4-10-23(24)27(29)30/h4-5,8-16H,6-7,17-18H2,1-3H3