3-[4-(4-chloranyl-3,5-dimethyl-phenoxy)butyl]-2-(4-methoxyphenyl)quinazolin-4-one

Systemtic Name: 3-[4-(4-chloranyl-3,5-dimethyl-phenoxy)butyl]-2-(4-methoxyphenyl)quinazolin-4-one Openeye Name: 3-[4-(4-chloro-3,5-dimethyl-phenoxy)butyl]-2-(4-methoxyphenyl)quinazolin-4-one CAS Name: 3-[4-(4-chloro-3,5-dimethylphenoxy)butyl]-2-(4-methoxyphenyl)-4-quinazolinone IUPAC Name: 3-[4-(4-chloro-3,5-dimethylphenoxy)butyl]-2-(4-methoxyphenyl)quinazolin-4-one Traditional Name: 3-[4-(4-chloro-3,5-dimethyl-phenoxy)butyl]-2-(4-methoxyphenyl)quinazolin-4-one Formula: C27H27ClN2O3 MolecularWeight: 462.96788

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1Cl)C)OCCCCN2C(=NC3=CC=CC=C3C2=O)C4=CC=C(C=C4)OC

Isomeric SMILES

CC1=CC(=CC(=C1Cl)C)OCCCCN2C(=NC3=CC=CC=C3C2=O)C4=CC=C(C=C4)OC

InChI

InChI=1S/C27H27ClN2O3/c1-18-16-22(17-19(2)25(18)28)33-15-7-6-14-30-26(20-10-12-21(32-3)13-11-20)29-24-9-5-4-8-23(24)27(30)31/h4-5,8-13,16-17H,6-7,14-15H2,1-3H3