N-(2-oxidanylideneazepan-3-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanamide

Systemtic Name: N-(2-oxidanylideneazepan-3-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanamide Openeye Name: N-(2-oxoazepan-3-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide CAS Name: N-(2-oxo-3-azepanyl)-2-[4-(2-pyrimidinyl)-1-piperazinyl]acetamide IUPAC Name: N-(2-oxoazepan-3-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide Traditional Name: N-(2-ketoazepan-3-yl)-2-[4-(2-pyrimidyl)piperazino]acetamide Formula: C16H24N6O2 MolecularWeight: 332.40076

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)NC(=O)CN2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

C1CCNC(=O)C(C1)NC(=O)CN2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C16H24N6O2/c23-14(20-13-4-1-2-5-17-15(13)24)12-21-8-10-22(11-9-21)16-18-6-3-7-19-16/h3,6-7,13H,1-2,4-5,8-12H2,(H,17,24)(H,20,23)