3-[7-bromanyl-9-[(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)methyl]-4-oxidanylidene-pyrido[1,2-a]pyrimidin-3-yl]propanenitrile

Systemtic Name: 3-[7-bromanyl-9-[(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)methyl]-4-oxidanylidene-pyrido[1,2-a]pyrimidin-3-yl]propanenitrile Openeye Name: 3-[9-[(4-acetyl-3-hydroxy-2-propyl-phenoxy)methyl]-7-bromo-4-oxo-pyrido[1,2-a]pyrimidin-3-yl]propanenitrile CAS Name: 3-[9-[(4-acetyl-3-hydroxy-2-propylphenoxy)methyl]-7-bromo-4-oxo-3-pyrido[1,2-a]pyrimidinyl]propanenitrile IUPAC Name: 3-[9-[(4-acetyl-3-hydroxy-2-propylphenoxy)methyl]-7-bromo-4-oxopyrido[1,2-a]pyrimidin-3-yl]propanenitrile Traditional Name: 3-[9-[(4-acetyl-3-hydroxy-2-propyl-phenoxy)methyl]-7-bromo-4-keto-pyrido[1,2-a]pyrimidin-3-yl]propionitrile Formula: C23H22BrN3O4 MolecularWeight: 484.34248

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)OCC2=CC(=CN3C2=NC=C(C3=O)CCC#N)Br

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)OCC2=CC(=CN3C2=NC=C(C3=O)CCC#N)Br

InChI

InChI=1S/C23H22BrN3O4/c1-3-5-19-20(8-7-18(14(2)28)21(19)29)31-13-16-10-17(24)12-27-22(16)26-11-15(23(27)30)6-4-9-25/h7-8,10-12,29H,3-6,13H2,1-2H3