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

Systemtic Name: 2-[9-[(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)methyl]-7-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-3-yl]ethanenitrile Openeye Name: 2-[9-[(4-acetyl-3-hydroxy-2-propyl-phenoxy)methyl]-7-methyl-4-oxo-pyrido[1,2-a]pyrimidin-3-yl]acetonitrile CAS Name: 2-[9-[(4-acetyl-3-hydroxy-2-propylphenoxy)methyl]-7-methyl-4-oxo-3-pyrido[1,2-a]pyrimidinyl]acetonitrile IUPAC Name: 2-[9-[(4-acetyl-3-hydroxy-2-propylphenoxy)methyl]-7-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]acetonitrile Traditional Name: 2-[9-[(4-acetyl-3-hydroxy-2-propyl-phenoxy)methyl]-4-keto-7-methyl-pyrido[1,2-a]pyrimidin-3-yl]acetonitrile Formula: C23H23N3O4 MolecularWeight: 405.44642

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C23H23N3O4/c1-4-5-19-20(7-6-18(15(3)27)21(19)28)30-13-17-10-14(2)12-26-22(17)25-11-16(8-9-24)23(26)29/h6-7,10-12,28H,4-5,8,13H2,1-3H3