2-(4-chlorophenyl)-3-[5-(3,4-dimethylphenoxy)pentyl]quinazolin-4-one

Systemtic Name: 2-(4-chlorophenyl)-3-[5-(3,4-dimethylphenoxy)pentyl]quinazolin-4-one Openeye Name: 2-(4-chlorophenyl)-3-[5-(3,4-dimethylphenoxy)pentyl]quinazolin-4-one CAS Name: 2-(4-chlorophenyl)-3-[5-(3,4-dimethylphenoxy)pentyl]-4-quinazolinone IUPAC Name: 2-(4-chlorophenyl)-3-[5-(3,4-dimethylphenoxy)pentyl]quinazolin-4-one Traditional Name: 2-(4-chlorophenyl)-3-[5-(3,4-dimethylphenoxy)pentyl]quinazolin-4-one Formula: C27H27ClN2O2 MolecularWeight: 446.96848

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)OCCCCCN2C(=NC3=CC=CC=C3C2=O)C4=CC=C(C=C4)Cl)C

Isomeric SMILES

CC1=C(C=C(C=C1)OCCCCCN2C(=NC3=CC=CC=C3C2=O)C4=CC=C(C=C4)Cl)C

InChI

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