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

Systemtic Name: [4-(1-adamantyl)phenyl] 3-methyl-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: [4-(1-adamantyl)phenyl] 3-methyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-methyl-4-oxo-1-phthalazinecarboxylic acid [4-(1-adamantyl)phenyl] ester IUPAC Name: [4-(1-adamantyl)phenyl] 3-methyl-4-oxophthalazine-1-carboxylate Traditional Name: 4-keto-3-methyl-phthalazine-1-carboxylic acid [4-(1-adamantyl)phenyl] ester Formula: C26H26N2O3 MolecularWeight: 414.49624

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OC3=CC=C(C=C3)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OC3=CC=C(C=C3)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C26H26N2O3/c1-28-24(29)22-5-3-2-4-21(22)23(27-28)25(30)31-20-8-6-19(7-9-20)26-13-16-10-17(14-26)12-18(11-16)15-26/h2-9,16-18H,10-15H2,1H3