5-bromanyl-4-[(3,4-dimethoxyphenyl)methylamino]-3-propan-2-yloxy-1H-pyridazin-6-one

Systemtic Name: 5-bromanyl-4-[(3,4-dimethoxyphenyl)methylamino]-3-propan-2-yloxy-1H-pyridazin-6-one Openeye Name: 5-bromo-4-[(3,4-dimethoxyphenyl)methylamino]-3-isopropoxy-1H-pyridazin-6-one CAS Name: 5-bromo-4-[(3,4-dimethoxyphenyl)methylamino]-3-propan-2-yloxy-1H-pyridazin-6-one IUPAC Name: 5-bromo-4-[(3,4-dimethoxyphenyl)methylamino]-3-propan-2-yloxy-1H-pyridazin-6-one Traditional Name: 5-bromo-3-isopropoxy-4-(veratrylamino)-1H-pyridazin-6-one Formula: C16H20BrN3O4 MolecularWeight: 398.2517

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=NNC(=O)C(=C1NCC2=CC(=C(C=C2)OC)OC)Br

Isomeric SMILES

CC(C)OC1=NNC(=O)C(=C1NCC2=CC(=C(C=C2)OC)OC)Br

InChI

InChI=1S/C16H20BrN3O4/c1-9(2)24-16-14(13(17)15(21)19-20-16)18-8-10-5-6-11(22-3)12(7-10)23-4/h5-7,9H,8H2,1-4H3,(H2,18,19,21)