[2-[1-adamantyl(furan-2-ylmethyl)amino]-2-oxidanylidene-ethyl] 6-oxidanylidene-4,5-dihydro-1H-pyridazine-3-carboxylate

Systemtic Name: [2-[1-adamantyl(furan-2-ylmethyl)amino]-2-oxidanylidene-ethyl] 6-oxidanylidene-4,5-dihydro-1H-pyridazine-3-carboxylate Openeye Name: [2-[1-adamantyl(2-furylmethyl)amino]-2-oxo-ethyl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate CAS Name: 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylic acid [2-[1-adamantyl(2-furanylmethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[1-adamantyl(furan-2-ylmethyl)amino]-2-oxoethyl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate Traditional Name: 6-keto-4,5-dihydro-1H-pyridazine-3-carboxylic acid [2-[1-adamantyl(2-furfuryl)amino]-2-keto-ethyl] ester Formula: C22H27N3O5 MolecularWeight: 413.46688

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)NN=C1C(=O)OCC(=O)N(CC2=CC=CO2)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C1CC(=O)NN=C1C(=O)OCC(=O)N(CC2=CC=CO2)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C22H27N3O5/c26-19-4-3-18(23-24-19)21(28)30-13-20(27)25(12-17-2-1-5-29-17)22-9-14-6-15(10-22)8-16(7-14)11-22/h1-2,5,14-16H,3-4,6-13H2,(H,24,26)