[2-(1-adamantyl)-2-oxidanylidene-ethyl] 6-oxidanylidene-1-propyl-pyridazine-3-carboxylate

Systemtic Name: [2-(1-adamantyl)-2-oxidanylidene-ethyl] 6-oxidanylidene-1-propyl-pyridazine-3-carboxylate Openeye Name: [2-(1-adamantyl)-2-oxo-ethyl] 6-oxo-1-propyl-pyridazine-3-carboxylate CAS Name: 6-oxo-1-propyl-3-pyridazinecarboxylic acid [2-(1-adamantyl)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantyl)-2-oxoethyl] 6-oxo-1-propylpyridazine-3-carboxylate Traditional Name: 6-keto-1-propyl-pyridazine-3-carboxylic acid [2-(1-adamantyl)-2-keto-ethyl] ester Formula: C20H26N2O4 MolecularWeight: 358.43144

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C=CC(=N1)C(=O)OCC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CCCN1C(=O)C=CC(=N1)C(=O)OCC(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C20H26N2O4/c1-2-5-22-18(24)4-3-16(21-22)19(25)26-12-17(23)20-9-13-6-14(10-20)8-15(7-13)11-20/h3-4,13-15H,2,5-12H2,1H3