methyl 1-[2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]piperidine-4-carboxylate Openeye Name: methyl 1-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]piperidine-4-carboxylate CAS Name: 1-[2-oxo-2-[4-(2-pyrimidinyl)-1-piperazinyl]ethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]piperidine-4-carboxylate Traditional Name: 1-[2-keto-2-[4-(2-pyrimidyl)piperazino]ethyl]isonipecotic acid methyl ester Formula: C17H25N5O3 MolecularWeight: 347.4121

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)CC(=O)N2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

COC(=O)C1CCN(CC1)CC(=O)N2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C17H25N5O3/c1-25-16(24)14-3-7-20(8-4-14)13-15(23)21-9-11-22(12-10-21)17-18-5-2-6-19-17/h2,5-6,14H,3-4,7-13H2,1H3