[4-(1-adamantyl)phenyl] 1-methyl-6-oxidanylidene-pyridazine-3-carboxylate

Systemtic Name: [4-(1-adamantyl)phenyl] 1-methyl-6-oxidanylidene-pyridazine-3-carboxylate Openeye Name: [4-(1-adamantyl)phenyl] 1-methyl-6-oxo-pyridazine-3-carboxylate CAS Name: 1-methyl-6-oxo-3-pyridazinecarboxylic acid [4-(1-adamantyl)phenyl] ester IUPAC Name: [4-(1-adamantyl)phenyl] 1-methyl-6-oxopyridazine-3-carboxylate Traditional Name: 6-keto-1-methyl-pyridazine-3-carboxylic acid [4-(1-adamantyl)phenyl] ester Formula: C22H24N2O3 MolecularWeight: 364.43756

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C=CC(=N1)C(=O)OC2=CC=C(C=C2)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CN1C(=O)C=CC(=N1)C(=O)OC2=CC=C(C=C2)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C22H24N2O3/c1-24-20(25)7-6-19(23-24)21(26)27-18-4-2-17(3-5-18)22-11-14-8-15(12-22)10-16(9-14)13-22/h2-7,14-16H,8-13H2,1H3