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

Systemtic Name: 1-[6-(4-chlorophenyl)pyridazin-3-yl]piperidine-4-carboxylic acid Openeye Name: 1-[6-(4-chlorophenyl)pyridazin-3-yl]piperidine-4-carboxylic acid CAS Name: 1-[6-(4-chlorophenyl)-3-pyridazinyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[6-(4-chlorophenyl)pyridazin-3-yl]piperidine-4-carboxylic acid Traditional Name: 1-[6-(4-chlorophenyl)pyridazin-3-yl]isonipecotic acid Formula: C16H16ClN3O2 MolecularWeight: 317.77014

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16ClN3O2/c17-13-3-1-11(2-4-13)14-5-6-15(19-18-14)20-9-7-12(8-10-20)16(21)22/h1-6,12H,7-10H2,(H,21,22)