N-(4-bromanyl-2-fluoranyl-phenyl)-2-(2-methyl-5-oxidanylidene-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide

Systemtic Name: N-(4-bromanyl-2-fluoranyl-phenyl)-2-(2-methyl-5-oxidanylidene-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide Openeye Name: N-(4-bromo-2-fluoro-phenyl)-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide CAS Name: N-(4-bromo-2-fluorophenyl)-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide IUPAC Name: N-(4-bromo-2-fluorophenyl)-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide Traditional Name: N-(4-bromo-2-fluoro-phenyl)-2-(5-keto-2-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butyramide Formula: C17H18BrFN4O2 MolecularWeight: 409.252823

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C=C(C=C1)Br)F)N2C(=O)CCN3C2=CC(=N3)C

Isomeric SMILES

CCC(C(=O)NC1=C(C=C(C=C1)Br)F)N2C(=O)CCN3C2=CC(=N3)C

InChI

InChI=1S/C17H18BrFN4O2/c1-3-14(17(25)20-13-5-4-11(18)9-12(13)19)23-15-8-10(2)21-22(15)7-6-16(23)24/h4-5,8-9,14H,3,6-7H2,1-2H3,(H,20,25)