Chemistry:Neflumozide

Neflumozide
Identifiers
	IUPAC name 3-[1-[3-(6-fluoro-1,2-benzoxazol-3-yl)propyl]piperidin-4-yl]-1H-benzimidazol-2-one;
CAS Number	86636-93-3;
PubChem CID	55463;
ChemSpider	50085;
UNII	P3WHG5IM2W;
ChEMBL	ChEMBL2111040;
Chemical and physical data
Formula	C22H23FN4O2
Molar mass	394.450 g·mol−1
3D model (JSmol)	Interactive image;
	SMILES C1CN(CCC1N2C3=CC=CC=C3NC2=O)CCCC4=NOC5=C4C=CC(=C5)F;
	InChI InChI=1S/C22H23FN4O2/c23-15-7-8-17-18(25-29-21(17)14-15)5-3-11-26-12-9-16(10-13-26)27-20-6-2-1-4-19(20)24-22(27)28/h1-2,4,6-8,14,16H,3,5,9-13H2,(H,24,28); Key:VEUGOXRZHKYDED-UHFFFAOYSA-N;

Short description: Chemical compound

Neflumozide is a novel antipsychotic^[1]^[2] similar in structure to benperidol. It is a derivative of isoxazole and works as an dopamine antagonist.

References

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Identifiers

IUPAC name 3-[1-[3-(6-fluoro-1,2-benzoxazol-3-yl)propyl]piperidin-4-yl]-1H-benzimidazol-2-one
CAS Number	86636-93-3
PubChem CID	55463
ChemSpider	50085
UNII	P3WHG5IM2W
ChEMBL	ChEMBL2111040
Chemical and physical data
Formula	C₂₂H₂₃FN₄O₂
Molar mass	394.450 g·mol⁻¹
3D model (JSmol)	Interactive image
SMILES C1CN(CCC1N2C3=CC=CC=C3NC2=O)CCCC4=NOC5=C4C=CC(=C5)F
InChI InChI=1S/C22H23FN4O2/c23-15-7-8-17-18(25-29-21(17)14-15)5-3-11-26-12-9-16(10-13-26)27-20-6-2-1-4-19(20)24-22(27)28/h1-2,4,6-8,14,16H,3,5,9-13H2,(H,24,28) Key:VEUGOXRZHKYDED-UHFFFAOYSA-N