4-oxidanylidene-3-[1-oxidanylidene-1-(phenethylamino)propan-2-yl]phthalazine-1-carboxylic acid

Systemtic Name: 4-oxidanylidene-3-[1-oxidanylidene-1-(phenethylamino)propan-2-yl]phthalazine-1-carboxylic acid Openeye Name: 3-[1-methyl-2-oxo-2-(phenethylamino)ethyl]-4-oxo-phthalazine-1-carboxylic acid CAS Name: 4-oxo-3-[1-oxo-1-(phenethylamino)propan-2-yl]-1-phthalazinecarboxylic acid IUPAC Name: 4-oxo-3-[1-oxo-1-(phenethylamino)propan-2-yl]phthalazine-1-carboxylic acid Traditional Name: 4-keto-3-[2-keto-1-methyl-2-(phenethylamino)ethyl]phthalazine-1-carboxylic acid Formula: C20H19N3O4 MolecularWeight: 365.38256

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCC1=CC=CC=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)O

Isomeric SMILES

CC(C(=O)NCCC1=CC=CC=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)O

InChI

InChI=1S/C20H19N3O4/c1-13(18(24)21-12-11-14-7-3-2-4-8-14)23-19(25)16-10-6-5-9-15(16)17(22-23)20(26)27/h2-10,13H,11-12H2,1H3,(H,21,24)(H,26,27)