2-[8-bromanyl-7-[(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)methyl]-4-oxidanylidene-pyrido[1,2-a]pyrimidin-3-yl]ethanenitrile

Systemtic Name: 2-[8-bromanyl-7-[(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)methyl]-4-oxidanylidene-pyrido[1,2-a]pyrimidin-3-yl]ethanenitrile Openeye Name: 2-[7-[(4-acetyl-3-hydroxy-2-propyl-phenoxy)methyl]-8-bromo-4-oxo-pyrido[1,2-a]pyrimidin-3-yl]acetonitrile CAS Name: 2-[7-[(4-acetyl-3-hydroxy-2-propylphenoxy)methyl]-8-bromo-4-oxo-3-pyrido[1,2-a]pyrimidinyl]acetonitrile IUPAC Name: 2-[7-[(4-acetyl-3-hydroxy-2-propylphenoxy)methyl]-8-bromo-4-oxopyrido[1,2-a]pyrimidin-3-yl]acetonitrile Traditional Name: 2-[7-[(4-acetyl-3-hydroxy-2-propyl-phenoxy)methyl]-8-bromo-4-keto-pyrido[1,2-a]pyrimidin-3-yl]acetonitrile Formula: C22H20BrN3O4 MolecularWeight: 470.3159

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)OCC2=CN3C(=NC=C(C3=O)CC#N)C=C2Br

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)OCC2=CN3C(=NC=C(C3=O)CC#N)C=C2Br

InChI

InChI=1S/C22H20BrN3O4/c1-3-4-17-19(6-5-16(13(2)27)21(17)28)30-12-15-11-26-20(9-18(15)23)25-10-14(7-8-24)22(26)29/h5-6,9-11,28H,3-4,7,12H2,1-2H3