1-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]-6,7-dimethoxy-3-(phenylmethyl)quinazoline-2,4-dione

Systemtic Name: 1-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]-6,7-dimethoxy-3-(phenylmethyl)quinazoline-2,4-dione Openeye Name: 3-benzyl-1-[2-(4-bromophenyl)-2-oxo-ethyl]-6,7-dimethoxy-quinazoline-2,4-dione CAS Name: 1-[2-(4-bromophenyl)-2-oxoethyl]-6,7-dimethoxy-3-(phenylmethyl)quinazoline-2,4-dione IUPAC Name: 3-benzyl-1-[2-(4-bromophenyl)-2-oxoethyl]-6,7-dimethoxyquinazoline-2,4-dione Traditional Name: 3-benzyl-1-[2-(4-bromophenyl)-2-keto-ethyl]-6,7-dimethoxy-quinazoline-2,4-quinone Formula: C25H21BrN2O5 MolecularWeight: 509.34864

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=O)N(C(=O)N2CC(=O)C3=CC=C(C=C3)Br)CC4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=O)N(C(=O)N2CC(=O)C3=CC=C(C=C3)Br)CC4=CC=CC=C4)OC

InChI

InChI=1S/C25H21BrN2O5/c1-32-22-12-19-20(13-23(22)33-2)27(15-21(29)17-8-10-18(26)11-9-17)25(31)28(24(19)30)14-16-6-4-3-5-7-16/h3-13H,14-15H2,1-2H3