2-(4-bromophenyl)-3-[4-(4-methoxyphenoxy)but-2-ynyl]quinazolin-4-one

Systemtic Name: 2-(4-bromophenyl)-3-[4-(4-methoxyphenoxy)but-2-ynyl]quinazolin-4-one Openeye Name: 2-(4-bromophenyl)-3-[4-(4-methoxyphenoxy)but-2-ynyl]quinazolin-4-one CAS Name: 2-(4-bromophenyl)-3-[4-(4-methoxyphenoxy)but-2-ynyl]-4-quinazolinone IUPAC Name: 2-(4-bromophenyl)-3-[4-(4-methoxyphenoxy)but-2-ynyl]quinazolin-4-one Traditional Name: 2-(4-bromophenyl)-3-[4-(4-methoxyphenoxy)but-2-ynyl]quinazolin-4-one Formula: C25H19BrN2O3 MolecularWeight: 475.33396

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OCC#CCN2C(=NC3=CC=CC=C3C2=O)C4=CC=C(C=C4)Br

Isomeric SMILES

COC1=CC=C(C=C1)OCC#CCN2C(=NC3=CC=CC=C3C2=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C25H19BrN2O3/c1-30-20-12-14-21(15-13-20)31-17-5-4-16-28-24(18-8-10-19(26)11-9-18)27-23-7-3-2-6-22(23)25(28)29/h2-3,6-15H,16-17H2,1H3