3-(4-pyrimidin-2-ylpiperazin-1-yl)azepan-2-one

Systemtic Name: 3-(4-pyrimidin-2-ylpiperazin-1-yl)azepan-2-one Openeye Name: 3-(4-pyrimidin-2-ylpiperazin-1-yl)azepan-2-one CAS Name: 3-[4-(2-pyrimidinyl)-1-piperazinyl]-2-azepanone IUPAC Name: 3-(4-pyrimidin-2-ylpiperazin-1-yl)azepan-2-one Traditional Name: 3-[4-(2-pyrimidyl)piperazino]azepan-2-one Formula: C14H21N5O MolecularWeight: 275.34944

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)N2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

C1CCNC(=O)C(C1)N2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C14H21N5O/c20-13-12(4-1-2-5-15-13)18-8-10-19(11-9-18)14-16-6-3-7-17-14/h3,6-7,12H,1-2,4-5,8-11H2,(H,15,20)