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

Systemtic Name: 1-[1-(3-chlorophenyl)-6-oxidanylidene-pyridazin-3-yl]piperidine-4-carboxylic acid Openeye Name: 1-[1-(3-chlorophenyl)-6-oxo-pyridazin-3-yl]piperidine-4-carboxylic acid CAS Name: 1-[1-(3-chlorophenyl)-6-oxo-3-pyridazinyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[1-(3-chlorophenyl)-6-oxopyridazin-3-yl]piperidine-4-carboxylic acid Traditional Name: 1-[1-(3-chlorophenyl)-6-keto-pyridazin-3-yl]isonipecotic acid Formula: C16H16ClN3O3 MolecularWeight: 333.76954

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16ClN3O3/c17-12-2-1-3-13(10-12)20-15(21)5-4-14(18-20)19-8-6-11(7-9-19)16(22)23/h1-5,10-11H,6-9H2,(H,22,23)