1-[6-[2-(phenylcarbonyl)imidazol-1-yl]pyridazin-3-yl]piperidine-4-carboxylate

Systemtic Name: 1-[6-[2-(phenylcarbonyl)imidazol-1-yl]pyridazin-3-yl]piperidine-4-carboxylate Openeye Name: 1-[6-(2-benzoylimidazol-1-yl)pyridazin-3-yl]piperidine-4-carboxylate CAS Name: 1-[6-(2-benzoyl-1-imidazolyl)-3-pyridazinyl]-4-piperidinecarboxylate IUPAC Name: 1-[6-(2-benzoylimidazol-1-yl)pyridazin-3-yl]piperidine-4-carboxylate Traditional Name: 1-[6-(2-benzoylimidazol-1-yl)pyridazin-3-yl]isonipecotate Formula: C20H18N5O3- MolecularWeight: 376.38862

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)[O-])C2=NN=C(C=C2)N3C=CN=C3C(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1C(=O)[O-])C2=NN=C(C=C2)N3C=CN=C3C(=O)C4=CC=CC=C4

InChI

InChI=1S/C20H19N5O3/c26-18(14-4-2-1-3-5-14)19-21-10-13-25(19)17-7-6-16(22-23-17)24-11-8-15(9-12-24)20(27)28/h1-7,10,13,15H,8-9,11-12H2,(H,27,28)/p-1