3-[2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-4-phenethyl-piperazin-2-one

Systemtic Name: 3-[2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-4-phenethyl-piperazin-2-one Openeye Name: 3-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-4-phenethyl-piperazin-2-one CAS Name: 3-[2-oxo-2-[4-(2-pyrimidinyl)-1-piperazinyl]ethyl]-4-phenethyl-2-piperazinone IUPAC Name: 3-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-4-phenethylpiperazin-2-one Traditional Name: 3-[2-keto-2-[4-(2-pyrimidyl)piperazino]ethyl]-4-phenethyl-piperazin-2-one Formula: C22H28N6O2 MolecularWeight: 408.49672

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C(=O)N1)CC(=O)N2CCN(CC2)C3=NC=CC=N3)CCC4=CC=CC=C4

Isomeric SMILES

C1CN(C(C(=O)N1)CC(=O)N2CCN(CC2)C3=NC=CC=N3)CCC4=CC=CC=C4

InChI

InChI=1S/C22H28N6O2/c29-20(27-13-15-28(16-14-27)22-24-8-4-9-25-22)17-19-21(30)23-10-12-26(19)11-7-18-5-2-1-3-6-18/h1-6,8-9,19H,7,10-17H2,(H,23,30)