2-(4-bromanylphenoxy)-9,10-dimethoxy-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one

Systemtic Name: 2-(4-bromanylphenoxy)-9,10-dimethoxy-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one Openeye Name: 2-(4-bromophenoxy)-9,10-dimethoxy-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one CAS Name: 2-(4-bromophenoxy)-9,10-dimethoxy-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one IUPAC Name: 2-(4-bromophenoxy)-9,10-dimethoxy-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one Traditional Name: 2-(4-bromophenoxy)-9,10-dimethoxy-6,7-dihydropyrimid[6,1-a]isoquinolin-4-one Formula: C20H17BrN2O4 MolecularWeight: 429.26398

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)CCN3C2=CC(=NC3=O)OC4=CC=C(C=C4)Br)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)CCN3C2=CC(=NC3=O)OC4=CC=C(C=C4)Br)OC

InChI

InChI=1S/C20H17BrN2O4/c1-25-17-9-12-7-8-23-16(15(12)10-18(17)26-2)11-19(22-20(23)24)27-14-5-3-13(21)4-6-14/h3-6,9-11H,7-8H2,1-2H3