(2-azanyl-2-oxidanylidene-ethyl) 4-oxidanylidene-3-pentyl-phthalazine-1-carboxylate

Systemtic Name: (2-azanyl-2-oxidanylidene-ethyl) 4-oxidanylidene-3-pentyl-phthalazine-1-carboxylate Openeye Name: (2-amino-2-oxo-ethyl) 4-oxo-3-pentyl-phthalazine-1-carboxylate CAS Name: 4-oxo-3-pentyl-1-phthalazinecarboxylic acid (2-amino-2-oxoethyl) ester IUPAC Name: (2-amino-2-oxoethyl) 4-oxo-3-pentylphthalazine-1-carboxylate Traditional Name: 3-amyl-4-keto-phthalazine-1-carboxylic acid (2-amino-2-keto-ethyl) ester Formula: C16H19N3O4 MolecularWeight: 317.33976

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC(=O)N

Isomeric SMILES

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC(=O)N

InChI

InChI=1S/C16H19N3O4/c1-2-3-6-9-19-15(21)12-8-5-4-7-11(12)14(18-19)16(22)23-10-13(17)20/h4-5,7-8H,2-3,6,9-10H2,1H3,(H2,17,20)