3-[2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylic acid

Systemtic Name: 3-[2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylic acid Openeye Name: 3-[2-[(1-morpholinocyclohexyl)methylamino]-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxylic acid CAS Name: 3-[2-[[1-(4-morpholinyl)cyclohexyl]methylamino]-2-oxoethyl]-4-oxo-1-phthalazinecarboxylic acid IUPAC Name: 3-[2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid Traditional Name: 4-keto-3-[2-keto-2-[(1-morpholinocyclohexyl)methylamino]ethyl]phthalazine-1-carboxylic acid Formula: C22H28N4O5 MolecularWeight: 428.48152

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(CNC(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)O)N4CCOCC4

Isomeric SMILES

C1CCC(CC1)(CNC(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)O)N4CCOCC4

InChI

InChI=1S/C22H28N4O5/c27-18(23-15-22(8-4-1-5-9-22)25-10-12-31-13-11-25)14-26-20(28)17-7-3-2-6-16(17)19(24-26)21(29)30/h2-3,6-7H,1,4-5,8-15H2,(H,23,27)(H,29,30)