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

Systemtic Name: [1-(1-adamantyl)-1-oxidanylidene-propan-2-yl] 6-oxidanylidene-1-propyl-pyridazine-3-carboxylate Openeye Name: [2-(1-adamantyl)-1-methyl-2-oxo-ethyl] 6-oxo-1-propyl-pyridazine-3-carboxylate CAS Name: 6-oxo-1-propyl-3-pyridazinecarboxylic acid [1-(1-adamantyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(1-adamantyl)-1-oxopropan-2-yl] 6-oxo-1-propylpyridazine-3-carboxylate Traditional Name: 6-keto-1-propyl-pyridazine-3-carboxylic acid [2-(1-adamantyl)-2-keto-1-methyl-ethyl] ester Formula: C21H28N2O4 MolecularWeight: 372.45802

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N2O4/c1-3-6-23-18(24)5-4-17(22-23)20(26)27-13(2)19(25)21-10-14-7-15(11-21)9-16(8-14)12-21/h4-5,13-16H,3,6-12H2,1-2H3