1-[1-(4-fluorophenyl)-6-oxidanylidene-pyridazin-3-yl]piperidine-4-carboxylic acid

Systemtic Name: 1-[1-(4-fluorophenyl)-6-oxidanylidene-pyridazin-3-yl]piperidine-4-carboxylic acid Openeye Name: 1-[1-(4-fluorophenyl)-6-oxo-pyridazin-3-yl]piperidine-4-carboxylic acid CAS Name: 1-[1-(4-fluorophenyl)-6-oxo-3-pyridazinyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]piperidine-4-carboxylic acid Traditional Name: 1-[1-(4-fluorophenyl)-6-keto-pyridazin-3-yl]isonipecotic acid Formula: C16H16FN3O3 MolecularWeight: 317.314943

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C2=NN(C(=O)C=C2)C3=CC=C(C=C3)F

Isomeric SMILES

C1CN(CCC1C(=O)O)C2=NN(C(=O)C=C2)C3=CC=C(C=C3)F

InChI

InChI=1S/C16H16FN3O3/c17-12-1-3-13(4-2-12)20-15(21)6-5-14(18-20)19-9-7-11(8-10-19)16(22)23/h1-6,11H,7-10H2,(H,22,23)