4-[2-octyl-4-[2,4,6-tris(oxidanylidene)-1,3-diazinan-1-yl]piperazin-1-yl]benzenecarbonitrile

Systemtic Name: 4-[2-octyl-4-[2,4,6-tris(oxidanylidene)-1,3-diazinan-1-yl]piperazin-1-yl]benzenecarbonitrile Openeye Name: 4-[2-octyl-4-(2,4,6-trioxohexahydropyrimidin-1-yl)piperazin-1-yl]benzonitrile CAS Name: 4-[2-octyl-4-(2,4,6-trioxo-1,3-diazinan-1-yl)-1-piperazinyl]benzonitrile IUPAC Name: 4-[2-octyl-4-(2,4,6-trioxo-1,3-diazinan-1-yl)piperazin-1-yl]benzonitrile Traditional Name: 4-[2-octyl-4-(2,4,6-triketohexahydropyrimidin-1-yl)piperazino]benzonitrile Formula: C23H31N5O3 MolecularWeight: 425.52394

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1CN(CCN1C2=CC=C(C=C2)C#N)N3C(=O)CC(=O)NC3=O

Isomeric SMILES

CCCCCCCCC1CN(CCN1C2=CC=C(C=C2)C#N)N3C(=O)CC(=O)NC3=O

InChI

InChI=1S/C23H31N5O3/c1-2-3-4-5-6-7-8-20-17-26(28-22(30)15-21(29)25-23(28)31)13-14-27(20)19-11-9-18(16-24)10-12-19/h9-12,20H,2-8,13-15,17H2,1H3,(H,25,29,31)