4-[1-[4-(5-bromanylpyrimidin-2-yl)piperazin-1-yl]-1-oxidanylidene-propan-2-yl]oxybenzenecarbonitrile

Systemtic Name: 4-[1-[4-(5-bromanylpyrimidin-2-yl)piperazin-1-yl]-1-oxidanylidene-propan-2-yl]oxybenzenecarbonitrile Openeye Name: 4-[2-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-1-methyl-2-oxo-ethoxy]benzonitrile CAS Name: 4-[1-[4-(5-bromo-2-pyrimidinyl)-1-piperazinyl]-1-oxopropan-2-yl]oxybenzonitrile IUPAC Name: 4-[1-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-1-oxopropan-2-yl]oxybenzonitrile Traditional Name: 4-[2-[4-(5-bromopyrimidin-2-yl)piperazino]-2-keto-1-methyl-ethoxy]benzonitrile Formula: C18H18BrN5O2 MolecularWeight: 416.27182

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)C2=NC=C(C=N2)Br)OC3=CC=C(C=C3)C#N

Isomeric SMILES

CC(C(=O)N1CCN(CC1)C2=NC=C(C=N2)Br)OC3=CC=C(C=C3)C#N

InChI

InChI=1S/C18H18BrN5O2/c1-13(26-16-4-2-14(10-20)3-5-16)17(25)23-6-8-24(9-7-23)18-21-11-15(19)12-22-18/h2-5,11-13H,6-9H2,1H3