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

Systemtic Name: 7-bromanyl-9-[(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)methyl]-4-oxidanylidene-pyrido[1,2-a]pyrimidine-3-carbonitrile Openeye Name: 9-[(4-acetyl-3-hydroxy-2-propyl-phenoxy)methyl]-7-bromo-4-oxo-pyrido[1,2-a]pyrimidine-3-carbonitrile CAS Name: 9-[(4-acetyl-3-hydroxy-2-propylphenoxy)methyl]-7-bromo-4-oxo-3-pyrido[1,2-a]pyrimidinecarbonitrile IUPAC Name: 9-[(4-acetyl-3-hydroxy-2-propylphenoxy)methyl]-7-bromo-4-oxopyrido[1,2-a]pyrimidine-3-carbonitrile Traditional Name: 9-[(4-acetyl-3-hydroxy-2-propyl-phenoxy)methyl]-7-bromo-4-keto-pyrido[1,2-a]pyrimidine-3-carbonitrile Formula: C21H18BrN3O4 MolecularWeight: 456.28932

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18BrN3O4/c1-3-4-17-18(6-5-16(12(2)26)19(17)27)29-11-13-7-15(22)10-25-20(13)24-9-14(8-23)21(25)28/h5-7,9-10,27H,3-4,11H2,1-2H3