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

Systemtic Name: 2-[9-[(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)methyl]-4-oxidanylidene-pyrido[1,2-a]pyrimidin-3-yl]ethanenitrile Openeye Name: 2-[9-[(4-acetyl-3-hydroxy-2-propyl-phenoxy)methyl]-4-oxo-pyrido[1,2-a]pyrimidin-3-yl]acetonitrile CAS Name: 2-[9-[(4-acetyl-3-hydroxy-2-propylphenoxy)methyl]-4-oxo-3-pyrido[1,2-a]pyrimidinyl]acetonitrile IUPAC Name: 2-[9-[(4-acetyl-3-hydroxy-2-propylphenoxy)methyl]-4-oxopyrido[1,2-a]pyrimidin-3-yl]acetonitrile Traditional Name: 2-[9-[(4-acetyl-3-hydroxy-2-propyl-phenoxy)methyl]-4-keto-pyrido[1,2-a]pyrimidin-3-yl]acetonitrile Formula: C22H21N3O4 MolecularWeight: 391.41984

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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)CC#N

Isomeric SMILES

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

InChI

InChI=1S/C22H21N3O4/c1-3-5-18-19(8-7-17(14(2)26)20(18)27)29-13-16-6-4-11-25-21(16)24-12-15(9-10-23)22(25)28/h4,6-8,11-12,27H,3,5,9,13H2,1-2H3