1-[[2-oxidanylidene-3-(4-pyridazin-4-ylpiperazin-1-yl)-1,3-oxazolidin-5-yl]methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[[2-oxidanylidene-3-(4-pyridazin-4-ylpiperazin-1-yl)-1,3-oxazolidin-5-yl]methyl]piperidine-4-carboxylic acid Openeye Name: 1-[[2-oxo-3-(4-pyridazin-4-ylpiperazin-1-yl)oxazolidin-5-yl]methyl]piperidine-4-carboxylic acid CAS Name: 1-[[2-oxo-3-[4-(4-pyridazinyl)-1-piperazinyl]-5-oxazolidinyl]methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[[2-oxo-3-(4-pyridazin-4-ylpiperazin-1-yl)-1,3-oxazolidin-5-yl]methyl]piperidine-4-carboxylic acid Traditional Name: 1-[[2-keto-3-(4-pyridazin-4-ylpiperazino)oxazolidin-5-yl]methyl]isonipecotic acid Formula: C18H26N6O4 MolecularWeight: 390.43684

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)CC2CN(C(=O)O2)N3CCN(CC3)C4=CN=NC=C4

Isomeric SMILES

C1CN(CCC1C(=O)O)CC2CN(C(=O)O2)N3CCN(CC3)C4=CN=NC=C4

InChI

InChI=1S/C18H26N6O4/c25-17(26)14-2-5-21(6-3-14)12-16-13-24(18(27)28-16)23-9-7-22(8-10-23)15-1-4-19-20-11-15/h1,4,11,14,16H,2-3,5-10,12-13H2,(H,25,26)