(2E)-4-[2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-2-(phenylmethylidene)-1,4-benzoxazin-3-one

Systemtic Name: (2E)-4-[2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-2-(phenylmethylidene)-1,4-benzoxazin-3-one Openeye Name: (2E)-2-benzylidene-4-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-1,4-benzoxazin-3-one CAS Name: (2E)-4-[2-oxo-2-[4-(2-pyrimidinyl)-1-piperazinyl]ethyl]-2-(phenylmethylene)-1,4-benzoxazin-3-one IUPAC Name: (2E)-2-benzylidene-4-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-1,4-benzoxazin-3-one Traditional Name: (2E)-2-benzal-4-[2-keto-2-[4-(2-pyrimidyl)piperazino]ethyl]-1,4-benzoxazin-3-one Formula: C25H23N5O3 MolecularWeight: 441.48182

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)C(=O)CN3C4=CC=CC=C4OC(=CC5=CC=CC=C5)C3=O

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)C(=O)CN3C4=CC=CC=C4O/C(=C/C5=CC=CC=C5)/C3=O

InChI

InChI=1S/C25H23N5O3/c31-23(28-13-15-29(16-14-28)25-26-11-6-12-27-25)18-30-20-9-4-5-10-21(20)33-22(24(30)32)17-19-7-2-1-3-8-19/h1-12,17H,13-16,18H2/b22-17+