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

Systemtic Name: N-(4-bromanyl-2-methyl-phenyl)-4-[3-(4-fluorophenyl)-6-oxidanylidene-pyridazin-1-yl]butanamide Openeye Name: N-(4-bromo-2-methyl-phenyl)-4-[3-(4-fluorophenyl)-6-oxo-pyridazin-1-yl]butanamide CAS Name: N-(4-bromo-2-methylphenyl)-4-[3-(4-fluorophenyl)-6-oxo-1-pyridazinyl]butanamide IUPAC Name: N-(4-bromo-2-methylphenyl)-4-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]butanamide Traditional Name: N-(4-bromo-2-methyl-phenyl)-4-[3-(4-fluorophenyl)-6-keto-pyridazin-1-yl]butyramide Formula: C21H19BrFN3O2 MolecularWeight: 444.296863

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)CCCN2C(=O)C=CC(=N2)C3=CC=C(C=C3)F

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)CCCN2C(=O)C=CC(=N2)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H19BrFN3O2/c1-14-13-16(22)6-9-18(14)24-20(27)3-2-12-26-21(28)11-10-19(25-26)15-4-7-17(23)8-5-15/h4-11,13H,2-3,12H2,1H3,(H,24,27)