1-[6-(2-pyridin-4-ylcarbonylimidazol-1-yl)pyridazin-3-yl]piperidine-4-carboxylic acid

Systemtic Name: 1-[6-(2-pyridin-4-ylcarbonylimidazol-1-yl)pyridazin-3-yl]piperidine-4-carboxylic acid Openeye Name: 1-[6-[2-(pyridine-4-carbonyl)imidazol-1-yl]pyridazin-3-yl]piperidine-4-carboxylic acid CAS Name: 1-[6-[2-[oxo(pyridin-4-yl)methyl]-1-imidazolyl]-3-pyridazinyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[6-[2-(pyridine-4-carbonyl)imidazol-1-yl]pyridazin-3-yl]piperidine-4-carboxylic acid Traditional Name: 1-[6-(2-isonicotinoylimidazol-1-yl)pyridazin-3-yl]isonipecotic acid Formula: C19H18N6O3 MolecularWeight: 378.38462

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C2=NN=C(C=C2)N3C=CN=C3C(=O)C4=CC=NC=C4

Isomeric SMILES

C1CN(CCC1C(=O)O)C2=NN=C(C=C2)N3C=CN=C3C(=O)C4=CC=NC=C4

InChI

InChI=1S/C19H18N6O3/c26-17(13-3-7-20-8-4-13)18-21-9-12-25(18)16-2-1-15(22-23-16)24-10-5-14(6-11-24)19(27)28/h1-4,7-9,12,14H,5-6,10-11H2,(H,27,28)