6-bromanyl-3-[3-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]propyl]-2H-1,3-benzoxazin-4-one

Systemtic Name: 6-bromanyl-3-[3-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]propyl]-2H-1,3-benzoxazin-4-one Openeye Name: 6-bromo-3-[3-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]propyl]-2H-1,3-benzoxazin-4-one CAS Name: 6-bromo-3-[3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]propyl]-2H-1,3-benzoxazin-4-one IUPAC Name: 6-bromo-3-[3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]propyl]-2H-1,3-benzoxazin-4-one Traditional Name: 6-bromo-3-[3-[homoveratryl(methyl)amino]propyl]-2H-1,3-benzoxazin-4-one Formula: C22H27BrN2O4 MolecularWeight: 463.36478

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCN1COC2=C(C1=O)C=C(C=C2)Br)CCC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CN(CCCN1COC2=C(C1=O)C=C(C=C2)Br)CCC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C22H27BrN2O4/c1-24(12-9-16-5-7-20(27-2)21(13-16)28-3)10-4-11-25-15-29-19-8-6-17(23)14-18(19)22(25)26/h5-8,13-14H,4,9-12,15H2,1-3H3