methyl 3-[2-(1-adamantylamino)-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: methyl 3-[2-(1-adamantylamino)-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: methyl 3-[2-(1-adamantylamino)-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxylate CAS Name: 3-[2-(1-adamantylamino)-2-oxoethyl]-4-oxo-1-phthalazinecarboxylic acid methyl ester IUPAC Name: methyl 3-[2-(1-adamantylamino)-2-oxoethyl]-4-oxophthalazine-1-carboxylate Traditional Name: 3-[2-(1-adamantylamino)-2-keto-ethyl]-4-keto-phthalazine-1-carboxylic acid methyl ester Formula: C22H25N3O4 MolecularWeight: 395.4516

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=NN(C(=O)C2=CC=CC=C21)CC(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COC(=O)C1=NN(C(=O)C2=CC=CC=C21)CC(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C22H25N3O4/c1-29-21(28)19-16-4-2-3-5-17(16)20(27)25(24-19)12-18(26)23-22-9-13-6-14(10-22)8-15(7-13)11-22/h2-5,13-15H,6-12H2,1H3,(H,23,26)