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

Systemtic Name: N-(4-bromanyl-2-fluoranyl-phenyl)-4-[3-(4-ethoxyphenyl)-6-oxidanylidene-pyridazin-1-yl]butanamide Openeye Name: N-(4-bromo-2-fluoro-phenyl)-4-[3-(4-ethoxyphenyl)-6-oxo-pyridazin-1-yl]butanamide CAS Name: N-(4-bromo-2-fluorophenyl)-4-[3-(4-ethoxyphenyl)-6-oxo-1-pyridazinyl]butanamide IUPAC Name: N-(4-bromo-2-fluorophenyl)-4-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]butanamide Traditional Name: N-(4-bromo-2-fluoro-phenyl)-4-(6-keto-3-p-phenetyl-pyridazin-1-yl)butyramide Formula: C22H21BrFN3O3 MolecularWeight: 474.322843

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NN(C(=O)C=C2)CCCC(=O)NC3=C(C=C(C=C3)Br)F

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NN(C(=O)C=C2)CCCC(=O)NC3=C(C=C(C=C3)Br)F

InChI

InChI=1S/C22H21BrFN3O3/c1-2-30-17-8-5-15(6-9-17)19-11-12-22(29)27(26-19)13-3-4-21(28)25-20-10-7-16(23)14-18(20)24/h5-12,14H,2-4,13H2,1H3,(H,25,28)