9-[(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)methyl]-7-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidine-3-carbonitrile

Systemtic Name: 9-[(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)methyl]-7-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidine-3-carbonitrile Openeye Name: 9-[(4-acetyl-3-hydroxy-2-propyl-phenoxy)methyl]-7-methyl-4-oxo-pyrido[1,2-a]pyrimidine-3-carbonitrile CAS Name: 9-[(4-acetyl-3-hydroxy-2-propylphenoxy)methyl]-7-methyl-4-oxo-3-pyrido[1,2-a]pyrimidinecarbonitrile IUPAC Name: 9-[(4-acetyl-3-hydroxy-2-propylphenoxy)methyl]-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbonitrile Traditional Name: 9-[(4-acetyl-3-hydroxy-2-propyl-phenoxy)methyl]-4-keto-7-methyl-pyrido[1,2-a]pyrimidine-3-carbonitrile 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)C#N)C

Isomeric SMILES

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

InChI

InChI=1S/C22H21N3O4/c1-4-5-18-19(7-6-17(14(3)26)20(18)27)29-12-15-8-13(2)11-25-21(15)24-10-16(9-23)22(25)28/h6-8,10-11,27H,4-5,12H2,1-3H3