1-[2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]azepan-2-one

Systemtic Name: 1-[2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]azepan-2-one Openeye Name: 1-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]azepan-2-one CAS Name: 1-[2-oxo-2-[4-(2-pyrimidinyl)-1-piperazinyl]ethyl]-2-azepanone IUPAC Name: 1-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]azepan-2-one Traditional Name: 1-[2-keto-2-[4-(2-pyrimidyl)piperazino]ethyl]azepan-2-one Formula: C16H23N5O2 MolecularWeight: 317.38612

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)N(CC1)CC(=O)N2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

C1CCC(=O)N(CC1)CC(=O)N2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C16H23N5O2/c22-14-5-2-1-3-8-21(14)13-15(23)19-9-11-20(12-10-19)16-17-6-4-7-18-16/h4,6-7H,1-3,5,8-13H2