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

Systemtic Name: [2-(1-adamantyl)-2-oxidanylidene-ethyl] 4-oxidanylidene-3-phenyl-phthalazine-1-carboxylate Openeye Name: [2-(1-adamantyl)-2-oxo-ethyl] 4-oxo-3-phenyl-phthalazine-1-carboxylate CAS Name: 4-oxo-3-phenyl-1-phthalazinecarboxylic acid [2-(1-adamantyl)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantyl)-2-oxoethyl] 4-oxo-3-phenylphthalazine-1-carboxylate Traditional Name: 4-keto-3-phenyl-phthalazine-1-carboxylic acid [2-(1-adamantyl)-2-keto-ethyl] ester Formula: C27H26N2O4 MolecularWeight: 442.50634

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)COC(=O)C4=NN(C(=O)C5=CC=CC=C54)C6=CC=CC=C6

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)COC(=O)C4=NN(C(=O)C5=CC=CC=C54)C6=CC=CC=C6

InChI

InChI=1S/C27H26N2O4/c30-23(27-13-17-10-18(14-27)12-19(11-17)15-27)16-33-26(32)24-21-8-4-5-9-22(21)25(31)29(28-24)20-6-2-1-3-7-20/h1-9,17-19H,10-16H2