N-(4-bromanyl-2-fluoranyl-phenyl)-4-[3-(3,4-dimethoxyphenyl)-6-oxidanylidene-pyridazin-1-yl]butanamide

Systemtic Name: N-(4-bromanyl-2-fluoranyl-phenyl)-4-[3-(3,4-dimethoxyphenyl)-6-oxidanylidene-pyridazin-1-yl]butanamide Openeye Name: N-(4-bromo-2-fluoro-phenyl)-4-[3-(3,4-dimethoxyphenyl)-6-oxo-pyridazin-1-yl]butanamide CAS Name: N-(4-bromo-2-fluorophenyl)-4-[3-(3,4-dimethoxyphenyl)-6-oxo-1-pyridazinyl]butanamide IUPAC Name: N-(4-bromo-2-fluorophenyl)-4-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]butanamide Traditional Name: N-(4-bromo-2-fluoro-phenyl)-4-[3-(3,4-dimethoxyphenyl)-6-keto-pyridazin-1-yl]butyramide Formula: C22H21BrFN3O4 MolecularWeight: 490.322243

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN(C(=O)C=C2)CCCC(=O)NC3=C(C=C(C=C3)Br)F)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN(C(=O)C=C2)CCCC(=O)NC3=C(C=C(C=C3)Br)F)OC

InChI

InChI=1S/C22H21BrFN3O4/c1-30-19-9-5-14(12-20(19)31-2)17-8-10-22(29)27(26-17)11-3-4-21(28)25-18-7-6-15(23)13-16(18)24/h5-10,12-13H,3-4,11H2,1-2H3,(H,25,28)