1-adamantylmethyl 4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxylate

Systemtic Name: 1-adamantylmethyl 4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxylate Openeye Name: 1-adamantylmethyl 3-benzyl-4-oxo-phthalazine-1-carboxylate CAS Name: 4-oxo-3-(phenylmethyl)-1-phthalazinecarboxylic acid 1-adamantylmethyl ester IUPAC Name: 1-adamantylmethyl 3-benzyl-4-oxophthalazine-1-carboxylate Traditional Name: 3-benzyl-4-keto-phthalazine-1-carboxylic acid 1-adamantylmethyl ester Formula: C27H28N2O3 MolecularWeight: 428.52282

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)COC(=O)C4=NN(C(=O)C5=CC=CC=C54)CC6=CC=CC=C6

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)COC(=O)C4=NN(C(=O)C5=CC=CC=C54)CC6=CC=CC=C6

InChI

InChI=1S/C27H28N2O3/c30-25-23-9-5-4-8-22(23)24(28-29(25)16-18-6-2-1-3-7-18)26(31)32-17-27-13-19-10-20(14-27)12-21(11-19)15-27/h1-9,19-21H,10-17H2