2-(4-chlorophenyl)-3-[6-(2-methoxy-4-prop-2-enyl-phenoxy)hexyl]quinazolin-4-one

Systemtic Name: 2-(4-chlorophenyl)-3-[6-(2-methoxy-4-prop-2-enyl-phenoxy)hexyl]quinazolin-4-one Openeye Name: 3-[6-(4-allyl-2-methoxy-phenoxy)hexyl]-2-(4-chlorophenyl)quinazolin-4-one CAS Name: 2-(4-chlorophenyl)-3-[6-(2-methoxy-4-prop-2-enylphenoxy)hexyl]-4-quinazolinone IUPAC Name: 2-(4-chlorophenyl)-3-[6-(2-methoxy-4-prop-2-enylphenoxy)hexyl]quinazolin-4-one Traditional Name: 3-[6-(4-allyl-2-methoxy-phenoxy)hexyl]-2-(4-chlorophenyl)quinazolin-4-one Formula: C30H31ClN2O3 MolecularWeight: 503.03174

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CC=C)OCCCCCCN2C(=NC3=CC=CC=C3C2=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

COC1=C(C=CC(=C1)CC=C)OCCCCCCN2C(=NC3=CC=CC=C3C2=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C30H31ClN2O3/c1-3-10-22-13-18-27(28(21-22)35-2)36-20-9-5-4-8-19-33-29(23-14-16-24(31)17-15-23)32-26-12-7-6-11-25(26)30(33)34/h3,6-7,11-18,21H,1,4-5,8-10,19-20H2,2H3