7-[(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)methyl]-4-oxidanylidene-pyrido[1,2-a]pyrimidine-3-carbonitrile

Systemtic Name: 7-[(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)methyl]-4-oxidanylidene-pyrido[1,2-a]pyrimidine-3-carbonitrile Openeye Name: 7-[(4-acetyl-3-hydroxy-2-propyl-phenoxy)methyl]-4-oxo-pyrido[1,2-a]pyrimidine-3-carbonitrile CAS Name: 7-[(4-acetyl-3-hydroxy-2-propylphenoxy)methyl]-4-oxo-3-pyrido[1,2-a]pyrimidinecarbonitrile IUPAC Name: 7-[(4-acetyl-3-hydroxy-2-propylphenoxy)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carbonitrile Traditional Name: 7-[(4-acetyl-3-hydroxy-2-propyl-phenoxy)methyl]-4-keto-pyrido[1,2-a]pyrimidine-3-carbonitrile Formula: C21H19N3O4 MolecularWeight: 377.39326

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)OCC2=CN3C(=NC=C(C3=O)C#N)C=C2

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)OCC2=CN3C(=NC=C(C3=O)C#N)C=C2

InChI

InChI=1S/C21H19N3O4/c1-3-4-17-18(7-6-16(13(2)25)20(17)26)28-12-14-5-8-19-23-10-15(9-22)21(27)24(19)11-14/h5-8,10-11,26H,3-4,12H2,1-2H3