[1-(1-adamantyl)-1-oxidanylidene-propan-2-yl] 3-ethyl-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: [1-(1-adamantyl)-1-oxidanylidene-propan-2-yl] 3-ethyl-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: [2-(1-adamantyl)-1-methyl-2-oxo-ethyl] 3-ethyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-ethyl-4-oxo-1-phthalazinecarboxylic acid [1-(1-adamantyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(1-adamantyl)-1-oxopropan-2-yl] 3-ethyl-4-oxophthalazine-1-carboxylate Traditional Name: 3-ethyl-4-keto-phthalazine-1-carboxylic acid [2-(1-adamantyl)-2-keto-1-methyl-ethyl] ester Formula: C24H28N2O4 MolecularWeight: 408.49012

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OC(C)C(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OC(C)C(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C24H28N2O4/c1-3-26-22(28)19-7-5-4-6-18(19)20(25-26)23(29)30-14(2)21(27)24-11-15-8-16(12-24)10-17(9-15)13-24/h4-7,14-17H,3,8-13H2,1-2H3