9-[(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)methyl]-8-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidine-3-carbonitrile

Systemtic Name: 9-[(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)methyl]-8-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidine-3-carbonitrile Openeye Name: 9-[(4-acetyl-3-hydroxy-2-propyl-phenoxy)methyl]-8-methyl-4-oxo-pyrido[1,2-a]pyrimidine-3-carbonitrile CAS Name: 9-[(4-acetyl-3-hydroxy-2-propylphenoxy)methyl]-8-methyl-4-oxo-3-pyrido[1,2-a]pyrimidinecarbonitrile IUPAC Name: 9-[(4-acetyl-3-hydroxy-2-propylphenoxy)methyl]-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbonitrile Traditional Name: 9-[(4-acetyl-3-hydroxy-2-propyl-phenoxy)methyl]-4-keto-8-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=C(C=CN3C2=NC=C(C3=O)C#N)C

Isomeric SMILES

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

InChI

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