(3S)-1-[6-(4-bromophenyl)pyridazin-3-yl]piperidine-3-carboxylate

Systemtic Name: (3S)-1-[6-(4-bromophenyl)pyridazin-3-yl]piperidine-3-carboxylate Openeye Name: (3S)-1-[6-(4-bromophenyl)pyridazin-3-yl]piperidine-3-carboxylate CAS Name: (3S)-1-[6-(4-bromophenyl)-3-pyridazinyl]-3-piperidinecarboxylate IUPAC Name: (3S)-1-[6-(4-bromophenyl)pyridazin-3-yl]piperidine-3-carboxylate Traditional Name: (3S)-1-[6-(4-bromophenyl)pyridazin-3-yl]nipecotate Formula: C16H15BrN3O2- MolecularWeight: 361.2132

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=NN=C(C=C2)C3=CC=C(C=C3)Br)C(=O)[O-]

Isomeric SMILES

C1C[C@@H](CN(C1)C2=NN=C(C=C2)C3=CC=C(C=C3)Br)C(=O)[O-]

InChI

InChI=1S/C16H16BrN3O2/c17-13-5-3-11(4-6-13)14-7-8-15(19-18-14)20-9-1-2-12(10-20)16(21)22/h3-8,12H,1-2,9-10H2,(H,21,22)/p-1/t12-/m0/s1