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

Systemtic Name: [2-(cyclohexylmethylamino)-2-oxidanylidene-ethyl] 3-(2-hydroxyethyl)-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: [2-(cyclohexylmethylamino)-2-oxo-ethyl] 3-(2-hydroxyethyl)-4-oxo-phthalazine-1-carboxylate CAS Name: 3-(2-hydroxyethyl)-4-oxo-1-phthalazinecarboxylic acid [2-(cyclohexylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclohexylmethylamino)-2-oxoethyl] 3-(2-hydroxyethyl)-4-oxophthalazine-1-carboxylate Traditional Name: 3-(2-hydroxyethyl)-4-keto-phthalazine-1-carboxylic acid [2-(cyclohexylmethylamino)-2-keto-ethyl] ester Formula: C20H25N3O5 MolecularWeight: 387.4296

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CNC(=O)COC(=O)C2=NN(C(=O)C3=CC=CC=C32)CCO

Isomeric SMILES

C1CCC(CC1)CNC(=O)COC(=O)C2=NN(C(=O)C3=CC=CC=C32)CCO

InChI

InChI=1S/C20H25N3O5/c24-11-10-23-19(26)16-9-5-4-8-15(16)18(22-23)20(27)28-13-17(25)21-12-14-6-2-1-3-7-14/h4-5,8-9,14,24H,1-3,6-7,10-13H2,(H,21,25)