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

Systemtic Name: 5-bromanyl-3-butan-2-yloxy-4-[(3,4-dimethoxyphenyl)methylamino]-1H-pyridazin-6-one Openeye Name: 5-bromo-4-[(3,4-dimethoxyphenyl)methylamino]-3-sec-butoxy-1H-pyridazin-6-one CAS Name: 5-bromo-3-butan-2-yloxy-4-[(3,4-dimethoxyphenyl)methylamino]-1H-pyridazin-6-one IUPAC Name: 5-bromo-3-butan-2-yloxy-4-[(3,4-dimethoxyphenyl)methylamino]-1H-pyridazin-6-one Traditional Name: 5-bromo-3-sec-butoxy-4-(veratrylamino)-1H-pyridazin-6-one Formula: C17H22BrN3O4 MolecularWeight: 412.27828

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22BrN3O4/c1-5-10(2)25-17-15(14(18)16(22)20-21-17)19-9-11-6-7-12(23-3)13(8-11)24-4/h6-8,10H,5,9H2,1-4H3,(H2,19,20,22)