2-[4-(5-ethanoyl-2-oxidanylidene-6-phenyl-3,4-dihydro-1H-pyrimidin-4-yl)-2-methoxy-phenoxy]ethanenitrile

Systemtic Name: 2-[4-(5-ethanoyl-2-oxidanylidene-6-phenyl-3,4-dihydro-1H-pyrimidin-4-yl)-2-methoxy-phenoxy]ethanenitrile Openeye Name: 2-[4-(5-acetyl-2-oxo-6-phenyl-3,4-dihydro-1H-pyrimidin-4-yl)-2-methoxy-phenoxy]acetonitrile CAS Name: 2-[4-(5-acetyl-2-oxo-6-phenyl-3,4-dihydro-1H-pyrimidin-4-yl)-2-methoxyphenoxy]acetonitrile IUPAC Name: 2-[4-(5-acetyl-2-oxo-6-phenyl-3,4-dihydro-1H-pyrimidin-4-yl)-2-methoxyphenoxy]acetonitrile Traditional Name: 2-[4-(5-acetyl-2-keto-6-phenyl-3,4-dihydro-1H-pyrimidin-4-yl)-2-methoxy-phenoxy]acetonitrile Formula: C21H19N3O4 MolecularWeight: 377.39326

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(NC(=O)NC1C2=CC(=C(C=C2)OCC#N)OC)C3=CC=CC=C3

Isomeric SMILES

CC(=O)C1=C(NC(=O)NC1C2=CC(=C(C=C2)OCC#N)OC)C3=CC=CC=C3

InChI

InChI=1S/C21H19N3O4/c1-13(25)18-19(14-6-4-3-5-7-14)23-21(26)24-20(18)15-8-9-16(28-11-10-22)17(12-15)27-2/h3-9,12,20H,11H2,1-2H3,(H2,23,24,26)