2-[[2-(4-bromanylphenoxy)ethyl-ethyl-amino]methyl]-6,7-dimethoxy-1H-quinazolin-4-one

Systemtic Name: 2-[[2-(4-bromanylphenoxy)ethyl-ethyl-amino]methyl]-6,7-dimethoxy-1H-quinazolin-4-one Openeye Name: 2-[[2-(4-bromophenoxy)ethyl-ethyl-amino]methyl]-6,7-dimethoxy-1H-quinazolin-4-one CAS Name: 2-[[2-(4-bromophenoxy)ethyl-ethylamino]methyl]-6,7-dimethoxy-1H-quinazolin-4-one IUPAC Name: 2-[[2-(4-bromophenoxy)ethyl-ethylamino]methyl]-6,7-dimethoxy-1H-quinazolin-4-one Traditional Name: 2-[[2-(4-bromophenoxy)ethyl-ethyl-amino]methyl]-6,7-dimethoxy-1H-quinazolin-4-one Formula: C21H24BrN3O4 MolecularWeight: 462.33696

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCOC1=CC=C(C=C1)Br)CC2=NC(=O)C3=CC(=C(C=C3N2)OC)OC

Isomeric SMILES

CCN(CCOC1=CC=C(C=C1)Br)CC2=NC(=O)C3=CC(=C(C=C3N2)OC)OC

InChI

InChI=1S/C21H24BrN3O4/c1-4-25(9-10-29-15-7-5-14(22)6-8-15)13-20-23-17-12-19(28-3)18(27-2)11-16(17)21(26)24-20/h5-8,11-12H,4,9-10,13H2,1-3H3,(H,23,24,26)