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

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] 3-(2-hydroxyethyl)-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] 3-(2-hydroxyethyl)-4-oxo-phthalazine-1-carboxylate CAS Name: 3-(2-hydroxyethyl)-4-oxo-1-phthalazinecarboxylic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] 3-(2-hydroxyethyl)-4-oxophthalazine-1-carboxylate Traditional Name: 3-(2-hydroxyethyl)-4-keto-phthalazine-1-carboxylic acid [2-(1-adamantylamino)-2-keto-ethyl] ester Formula: C23H27N3O5 MolecularWeight: 425.47758

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27N3O5/c27-6-5-26-21(29)18-4-2-1-3-17(18)20(25-26)22(30)31-13-19(28)24-23-10-14-7-15(11-23)9-16(8-14)12-23/h1-4,14-16,27H,5-13H2,(H,24,28)