1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)but-2-ynyl]azepan-2-one

Systemtic Name: 1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)but-2-ynyl]azepan-2-one Openeye Name: 1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)but-2-ynyl]azepan-2-one CAS Name: 1-[4-[4-(2-pyrimidinyl)-1-piperazinyl]but-2-ynyl]-2-azepanone IUPAC Name: 1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)but-2-ynyl]azepan-2-one Traditional Name: 1-[4-[4-(2-pyrimidyl)piperazino]but-2-ynyl]azepan-2-one Formula: C18H25N5O MolecularWeight: 327.424

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)N(CC1)CC#CCN2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

C1CCC(=O)N(CC1)CC#CCN2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C18H25N5O/c24-17-7-2-1-3-11-22(17)12-5-4-10-21-13-15-23(16-14-21)18-19-8-6-9-20-18/h6,8-9H,1-3,7,10-16H2