3-[4-[2,4-bis(chloranyl)-6-methyl-phenoxy]butyl]-2-(4-chlorophenyl)quinazolin-4-one

Systemtic Name: 3-[4-[2,4-bis(chloranyl)-6-methyl-phenoxy]butyl]-2-(4-chlorophenyl)quinazolin-4-one Openeye Name: 2-(4-chlorophenyl)-3-[4-(2,4-dichloro-6-methyl-phenoxy)butyl]quinazolin-4-one CAS Name: 2-(4-chlorophenyl)-3-[4-(2,4-dichloro-6-methylphenoxy)butyl]-4-quinazolinone IUPAC Name: 2-(4-chlorophenyl)-3-[4-(2,4-dichloro-6-methylphenoxy)butyl]quinazolin-4-one Traditional Name: 2-(4-chlorophenyl)-3-[4-(2,4-dichloro-6-methyl-phenoxy)butyl]quinazolin-4-one Formula: C25H21Cl3N2O2 MolecularWeight: 487.80544

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OCCCCN2C(=NC3=CC=CC=C3C2=O)C4=CC=C(C=C4)Cl)Cl)Cl

Isomeric SMILES

CC1=CC(=CC(=C1OCCCCN2C(=NC3=CC=CC=C3C2=O)C4=CC=C(C=C4)Cl)Cl)Cl

InChI

InChI=1S/C25H21Cl3N2O2/c1-16-14-19(27)15-21(28)23(16)32-13-5-4-12-30-24(17-8-10-18(26)11-9-17)29-22-7-3-2-6-20(22)25(30)31/h2-3,6-11,14-15H,4-5,12-13H2,1H3