3-[9-[(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)methyl]-6-fluoranyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-3-yl]propanenitrile

Systemtic Name: 3-[9-[(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)methyl]-6-fluoranyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-3-yl]propanenitrile Openeye Name: 3-[9-[(4-acetyl-3-hydroxy-2-propyl-phenoxy)methyl]-6-fluoro-4-oxo-pyrido[1,2-a]pyrimidin-3-yl]propanenitrile CAS Name: 3-[9-[(4-acetyl-3-hydroxy-2-propylphenoxy)methyl]-6-fluoro-4-oxo-3-pyrido[1,2-a]pyrimidinyl]propanenitrile IUPAC Name: 3-[9-[(4-acetyl-3-hydroxy-2-propylphenoxy)methyl]-6-fluoro-4-oxopyrido[1,2-a]pyrimidin-3-yl]propanenitrile Traditional Name: 3-[9-[(4-acetyl-3-hydroxy-2-propyl-phenoxy)methyl]-6-fluoro-4-keto-pyrido[1,2-a]pyrimidin-3-yl]propionitrile Formula: C23H22FN3O4 MolecularWeight: 423.436883

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)OCC2=CC=C(N3C2=NC=C(C3=O)CCC#N)F

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)OCC2=CC=C(N3C2=NC=C(C3=O)CCC#N)F

InChI

InChI=1S/C23H22FN3O4/c1-3-5-18-19(9-8-17(14(2)28)21(18)29)31-13-16-7-10-20(24)27-22(16)26-12-15(23(27)30)6-4-11-25/h7-10,12,29H,3-6,13H2,1-2H3