1-[6-[2-(furan-2-ylcarbonyl)imidazol-1-yl]pyridazin-3-yl]piperidine-4-carboxylic acid

Systemtic Name: 1-[6-[2-(furan-2-ylcarbonyl)imidazol-1-yl]pyridazin-3-yl]piperidine-4-carboxylic acid Openeye Name: 1-[6-[2-(furan-2-carbonyl)imidazol-1-yl]pyridazin-3-yl]piperidine-4-carboxylic acid CAS Name: 1-[6-[2-[2-furanyl(oxo)methyl]-1-imidazolyl]-3-pyridazinyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[6-[2-(furan-2-carbonyl)imidazol-1-yl]pyridazin-3-yl]piperidine-4-carboxylic acid Traditional Name: 1-[6-[2-(2-furoyl)imidazol-1-yl]pyridazin-3-yl]isonipecotic acid Formula: C18H17N5O4 MolecularWeight: 367.35868

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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=CO4

Isomeric SMILES

C1CN(CCC1C(=O)O)C2=NN=C(C=C2)N3C=CN=C3C(=O)C4=CC=CO4

InChI

InChI=1S/C18H17N5O4/c24-16(13-2-1-11-27-13)17-19-7-10-23(17)15-4-3-14(20-21-15)22-8-5-12(6-9-22)18(25)26/h1-4,7,10-12H,5-6,8-9H2,(H,25,26)